1-(5-chloro-2-pyridinyl)-1,2,4-triazole-3-carbonitrile

C8H4ClN5 — CID 62951835

IUPAC1-(5-chloro-2-pyridinyl)-1,2,4-triazole-3-carbonitrile
SMILESN#Cc1ncn(-c2ccc(Cl)cn2)n1
InChIInChI=1S/C8H4ClN5/c9-6-1-2-8(11-4-6)14-5-12-7(3-10)13-14/h1-2,4-5H
InChIKeyQGJNRZGMPSMSBD-UHFFFAOYSA-N
MW205.61 g/mol
LogP1.19
Rot. Bonds1

About 1-(5-chloro-2-pyridinyl)-1,2,4-triazole-3-carbonitrile

1-(5-chloro-2-pyridinyl)-1,2,4-triazole-3-carbonitrile (PubChem CID 62951835) has the molecular formula C8H4ClN5 and a molecular weight of 205.61 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-1,2,4-triazole-3-carbonitrile.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-1,2,4-triazole-3-carbonitrile
PubChem CID62951835
Molecular FormulaC8H4ClN5
Molecular Weight205.61 g/mol
Exact Mass205.02
IUPAC Name1-(5-chloro-2-pyridinyl)-1,2,4-triazole-3-carbonitrile
SMILESN#Cc1ncn(-c2ccc(Cl)cn2)n1
InChIInChI=1S/C8H4ClN5/c9-6-1-2-8(11-4-6)14-5-12-7(3-10)13-14/h1-2,4-5H
InChIKeyQGJNRZGMPSMSBD-UHFFFAOYSA-N
XLogP1.19
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.61
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-Chloro-2-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 90026630
Pyridotetrazole
CID 136089
(1,2,4)Triazolo(1,5-a)pyridine
CID 67508
5-chloro-N-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine
CID 778503
N-(2-chloro-phenyl)-1-pyridin-2-yl-1H-[1,2,4]triazole-3,5-diamine
CID 56595688
(1,2,4)Triazolo(1,5-a)pyridin-2-amine
CID 584054
6-Chloro-2-[2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 165415216
6,8-Dichloro-5-methyl-2-[2-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 165415328
N'-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanimidamide
CID 9581804
3-chloro-2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine
CID 5204876
3-Chloro-(1,2,4)triazolo(4,3-a)pyridine
CID 249775
5-chloro-2-(1H-pyrazol-1-yl)pyridine
CID 63811476

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-1,2,4-triazole-3-carbonitrile?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-1,2,4-triazole-3-carbonitrile (CID 62951835) is 1-(5-chloro-2-pyridinyl)-1,2,4-triazole-3-carbonitrile.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-1,2,4-triazole-3-carbonitrile?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-1,2,4-triazole-3-carbonitrile is N#Cc1ncn(-c2ccc(Cl)cn2)n1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-1,2,4-triazole-3-carbonitrile?
The InChIKey is QGJNRZGMPSMSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClN5/c9-6-1-2-8(11-4-6)14-5-12-7(3-10)13-14/h1-2,4-5H.
What are the key properties of 1-(5-chloro-2-pyridinyl)-1,2,4-triazole-3-carbonitrile?
1-(5-chloro-2-pyridinyl)-1,2,4-triazole-3-carbonitrile has a molecular weight of 205.61 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-1,2,4-triazole-3-carbonitrile is sourced from PubChem (CID 62951835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).