2-cyclohexyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide

C15H20N4O — CID 53014832

IUPAC2-cyclohexyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide
SMILESCc1nnc2c(NC(=O)CC3CCCCC3)cccn12
InChIInChI=1S/C15H20N4O/c1-11-17-18-15-13(8-5-9-19(11)15)16-14(20)10-12-6-3-2-4-7-12/h5,8-9,12H,2-4,6-7,10H2,1H3,(H,16,20)
InChIKeyQRPHAAABTYJEHC-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.95
Rot. Bonds3

About 2-cyclohexyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide

2-cyclohexyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide (PubChem CID 53014832) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-cyclohexyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide
PubChem CID53014832
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-cyclohexyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide
SMILESCc1nnc2c(NC(=O)CC3CCCCC3)cccn12
InChIInChI=1S/C15H20N4O/c1-11-17-18-15-13(8-5-9-19(11)15)16-14(20)10-12-6-3-2-4-7-12/h5,8-9,12H,2-4,6-7,10H2,1H3,(H,16,20)
InChIKeyQRPHAAABTYJEHC-UHFFFAOYSA-N
XLogP2.95
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-cyclohexyl-N-[2-[1-(methylamino)ethyl]phenyl]acetamide
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2-cyclohexyl-N-[2-methyl-3-[[(S)-methylsulfinyl]methyl]phenyl]acetamide
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N-(3-amino-2-chlorophenyl)-2-cyclohexylacetamide
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2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide?
The IUPAC name of 2-cyclohexyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide (CID 53014832) is 2-cyclohexyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide?
The canonical SMILES for 2-cyclohexyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide is Cc1nnc2c(NC(=O)CC3CCCCC3)cccn12.
What is the InChIKey of 2-cyclohexyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide?
The InChIKey is QRPHAAABTYJEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-17-18-15-13(8-5-9-19(11)15)16-14(20)10-12-6-3-2-4-7-12/h5,8-9,12H,2-4,6-7,10H2,1H3,(H,16,20).
What are the key properties of 2-cyclohexyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide?
2-cyclohexyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide has a molecular weight of 272.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide is sourced from PubChem (CID 53014832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).