3-[1-(2-methylpropyl)cyclopentyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile

C16H20N4 — CID 105392819

IUPAC3-[1-(2-methylpropyl)cyclopentyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
SMILESCC(C)CC1(c2nnc3ccc(C#N)cn23)CCCC1
InChIInChI=1S/C16H20N4/c1-12(2)9-16(7-3-4-8-16)15-19-18-14-6-5-13(10-17)11-20(14)15/h5-6,11-12H,3-4,7-9H2,1-2H3
InChIKeyOVESVNOGUMXICX-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.46
Rot. Bonds3

About 3-[1-(2-methylpropyl)cyclopentyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile

3-[1-(2-methylpropyl)cyclopentyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (PubChem CID 105392819) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[1-(2-methylpropyl)cyclopentyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-[1-(2-methylpropyl)cyclopentyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
PubChem CID105392819
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name3-[1-(2-methylpropyl)cyclopentyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
SMILESCC(C)CC1(c2nnc3ccc(C#N)cn23)CCCC1
InChIInChI=1S/C16H20N4/c1-12(2)9-16(7-3-4-8-16)15-19-18-14-6-5-13(10-17)11-20(14)15/h5-6,11-12H,3-4,7-9H2,1-2H3
InChIKeyOVESVNOGUMXICX-UHFFFAOYSA-N
XLogP3.46
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392564
3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392565
3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392508
3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392786
[4-(2-methylpropyl)-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanol
CID 115397163
3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392749
N,4-diethyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-amine
CID 112596687
3-(2,3-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392740
3-(5-methylfuran-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392776
[4-tert-butyl-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanamine
CID 115944109
[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentyl]methanamine
CID 115433694
3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392541

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylpropyl)cyclopentyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The IUPAC name of 3-[1-(2-methylpropyl)cyclopentyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (CID 105392819) is 3-[1-(2-methylpropyl)cyclopentyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-[1-(2-methylpropyl)cyclopentyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-[1-(2-methylpropyl)cyclopentyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is CC(C)CC1(c2nnc3ccc(C#N)cn23)CCCC1.
What is the InChIKey of 3-[1-(2-methylpropyl)cyclopentyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The InChIKey is OVESVNOGUMXICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-12(2)9-16(7-3-4-8-16)15-19-18-14-6-5-13(10-17)11-20(14)15/h5-6,11-12H,3-4,7-9H2,1-2H3.
What are the key properties of 3-[1-(2-methylpropyl)cyclopentyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
3-[1-(2-methylpropyl)cyclopentyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile has a molecular weight of 268.36 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylpropyl)cyclopentyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is sourced from PubChem (CID 105392819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).