6-[5-amino-3-(2-chloroanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile

C14H10ClN7 — CID 56595691

IUPAC6-[5-amino-3-(2-chloroanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(-n2nc(Nc3ccccc3Cl)nc2N)nc1
InChIInChI=1S/C14H10ClN7/c15-10-3-1-2-4-11(10)19-14-20-13(17)22(21-14)12-6-5-9(7-16)8-18-12/h1-6,8H,(H3,17,19,20,21)
InChIKeyQYZYODZZZGIMSS-UHFFFAOYSA-N
MW311.74 g/mol
LogP2.51
Rot. Bonds3

About 6-[5-amino-3-(2-chloroanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile

6-[5-amino-3-(2-chloroanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile (PubChem CID 56595691) has the molecular formula C14H10ClN7 and a molecular weight of 311.74 g/mol. Its IUPAC name is 6-[5-amino-3-(2-chloroanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[5-amino-3-(2-chloroanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile
PubChem CID56595691
Molecular FormulaC14H10ClN7
Molecular Weight311.74 g/mol
Exact Mass311.07
IUPAC Name6-[5-amino-3-(2-chloroanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(-n2nc(Nc3ccccc3Cl)nc2N)nc1
InChIInChI=1S/C14H10ClN7/c15-10-3-1-2-4-11(10)19-14-20-13(17)22(21-14)12-6-5-9(7-16)8-18-12/h1-6,8H,(H3,17,19,20,21)
InChIKeyQYZYODZZZGIMSS-UHFFFAOYSA-N
XLogP2.51
TPSA105.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.74
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-chlorophenyl)-4-(1H-pyrrol-1-yl)-1,3,5-triazin-2-amine
CID 2730361
N~4~-(2-Chlorophenyl)-N~2~-[4-(1h-Tetrazol-5-Yl)phenyl]pyrimidine-2,4-Diamine
CID 56587967
Bisanilinopyrimidine, 12d
CID 70702164
3-Chloro-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzonitrile
CID 90646678
5-chloro-N-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine
CID 778503
3,5-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine
CID 2483894
2-((3-Chlorophenyl)amino)nicotinonitrile
CID 852634
3-{[1-(2,3-dichlorophenyl)-1H-tetraazol-5-yl]methyl}pyridine
CID 11630893
N-[[2-(azetidin-1-yl)-3-pyridinyl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-amine
CID 16678190
2-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine
CID 16678191
2-(2,3-dichlorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine
CID 16678192
4-(2,3-dichlorophenyl)-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine
CID 16679400

Frequently Asked Questions

What is the IUPAC name of 6-[5-amino-3-(2-chloroanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[5-amino-3-(2-chloroanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile (CID 56595691) is 6-[5-amino-3-(2-chloroanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[5-amino-3-(2-chloroanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[5-amino-3-(2-chloroanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(-n2nc(Nc3ccccc3Cl)nc2N)nc1.
What is the InChIKey of 6-[5-amino-3-(2-chloroanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile?
The InChIKey is QYZYODZZZGIMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN7/c15-10-3-1-2-4-11(10)19-14-20-13(17)22(21-14)12-6-5-9(7-16)8-18-12/h1-6,8H,(H3,17,19,20,21).
What are the key properties of 6-[5-amino-3-(2-chloroanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile?
6-[5-amino-3-(2-chloroanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile has a molecular weight of 311.74 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-amino-3-(2-chloroanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 56595691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).