U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H16N4.2ClH
Molecular Weight 289.204
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N2-((1,5-Dimethyl-1H-pyrrol-2-yl)methyl)pyridine-2,5-diamine dihydrochloride

SMILES

Cl.Cl.CN1C(C)=CC=C1CNC2=NC=C(N)C=C2

InChI

InChIKey=XUZTVIMQPUXBGC-UHFFFAOYSA-N
InChI=1S/C12H16N4.2ClH/c1-9-3-5-11(16(9)2)8-15-12-6-4-10(13)7-14-12;;/h3-7H,8,13H2,1-2H3,(H,14,15);2*1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C12H16N4
Molecular Weight 216.2822
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:29:45 GMT 2023
Edited
by admin
on Sat Dec 16 12:29:45 GMT 2023
Record UNII
X7ZRM5J7JU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N2-((1,5-Dimethyl-1H-pyrrol-2-yl)methyl)pyridine-2,5-diamine dihydrochloride
Systematic Name English
2,5-Pyridinediamine, N2-[(1,5-dimethyl-1H-pyrrol-2-yl)methyl]-, hydrochloride
Common Name English
2,5-Pyridinediamine, N2-[(1,5-dimethyl-1H-pyrrol-2-yl)methyl]-, hydrochloride (1:2)
Systematic Name English
Code System Code Type Description
FDA UNII
X7ZRM5J7JU
Created by admin on Sat Dec 16 12:29:46 GMT 2023 , Edited by admin on Sat Dec 16 12:29:46 GMT 2023
PRIMARY
CAS
94166-65-1
Created by admin on Sat Dec 16 12:29:46 GMT 2023 , Edited by admin on Sat Dec 16 12:29:46 GMT 2023
PRIMARY
EPA CompTox
DTXSID60240920
Created by admin on Sat Dec 16 12:29:46 GMT 2023 , Edited by admin on Sat Dec 16 12:29:46 GMT 2023
PRIMARY
ECHA (EC/EINECS)
303-362-0
Created by admin on Sat Dec 16 12:29:46 GMT 2023 , Edited by admin on Sat Dec 16 12:29:46 GMT 2023
PRIMARY
PUBCHEM
5744299
Created by admin on Sat Dec 16 12:29:46 GMT 2023 , Edited by admin on Sat Dec 16 12:29:46 GMT 2023
PRIMARY