1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutane-1-carbonitrile

C11H9ClN4 — CID 116990156

IUPAC1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutane-1-carbonitrile
SMILESN#CC1(c2nc3ccc(Cl)cn3n2)CCC1
InChIInChI=1S/C11H9ClN4/c12-8-2-3-9-14-10(15-16(9)6-8)11(7-13)4-1-5-11/h2-3,6H,1,4-5H2
InChIKeyWVWUNGFDDKRNHT-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.33
Rot. Bonds1

About 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutane-1-carbonitrile

1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutane-1-carbonitrile (PubChem CID 116990156) has the molecular formula C11H9ClN4 and a molecular weight of 232.67 g/mol. Its IUPAC name is 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutane-1-carbonitrile
PubChem CID116990156
Molecular FormulaC11H9ClN4
Molecular Weight232.67 g/mol
Exact Mass232.05
IUPAC Name1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutane-1-carbonitrile
SMILESN#CC1(c2nc3ccc(Cl)cn3n2)CCC1
InChIInChI=1S/C11H9ClN4/c12-8-2-3-9-14-10(15-16(9)6-8)11(7-13)4-1-5-11/h2-3,6H,1,4-5H2
InChIKeyWVWUNGFDDKRNHT-UHFFFAOYSA-N
XLogP2.33
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonitrile
CID 116990151
1-[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine
CID 116990158
methyl 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate
CID 116990162
6-chloro-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 122399895
2-(bromomethyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine
CID 118482511
1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carbonitrile
CID 84807277
6-chloro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 102337827
1-(5-chloro-2-pyridinyl)cyclopentane-1-carbonitrile
CID 130544132
6-chloro-2-propyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117130665
6-chloro-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 117130230
6-chloro-2-nitro-[1,2,4]triazolo[1,5-a]pyridine
CID 83880374
2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide
CID 117129656

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutane-1-carbonitrile (CID 116990156) is 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutane-1-carbonitrile is N#CC1(c2nc3ccc(Cl)cn3n2)CCC1.
What is the InChIKey of 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutane-1-carbonitrile?
The InChIKey is WVWUNGFDDKRNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4/c12-8-2-3-9-14-10(15-16(9)6-8)11(7-13)4-1-5-11/h2-3,6H,1,4-5H2.
What are the key properties of 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutane-1-carbonitrile?
1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutane-1-carbonitrile has a molecular weight of 232.67 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 116990156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).