2-(3-cyano-1,2,4-triazol-4-yl)-N-(cyclohexylcarbamoyl)acetamide

C12H16N6O2 — CID 47120538

IUPAC2-(3-cyano-1,2,4-triazol-4-yl)-N-(cyclohexylcarbamoyl)acetamide
SMILESN#Cc1nncn1CC(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C12H16N6O2/c13-6-10-17-14-8-18(10)7-11(19)16-12(20)15-9-4-2-1-3-5-9/h8-9H,1-5,7H2,(H2,15,16,19,20)
InChIKeyVCGALUQPTYUMPQ-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.31
Rot. Bonds3

About 2-(3-cyano-1,2,4-triazol-4-yl)-N-(cyclohexylcarbamoyl)acetamide

2-(3-cyano-1,2,4-triazol-4-yl)-N-(cyclohexylcarbamoyl)acetamide (PubChem CID 47120538) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(3-cyano-1,2,4-triazol-4-yl)-N-(cyclohexylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-1,2,4-triazol-4-yl)-N-(cyclohexylcarbamoyl)acetamide
PubChem CID47120538
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name2-(3-cyano-1,2,4-triazol-4-yl)-N-(cyclohexylcarbamoyl)acetamide
SMILESN#Cc1nncn1CC(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C12H16N6O2/c13-6-10-17-14-8-18(10)7-11(19)16-12(20)15-9-4-2-1-3-5-9/h8-9H,1-5,7H2,(H2,15,16,19,20)
InChIKeyVCGALUQPTYUMPQ-UHFFFAOYSA-N
XLogP0.31
TPSA112.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyanoethyl)-2-(3-cyano-1,2,4-triazol-4-yl)acetamide
CID 47138375
N-(cyclohexylcarbamoyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17439419
2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide
CID 8895713
N-(cyclohexylcarbamoyl)-2-(4-formyltriazol-1-yl)acetamide
CID 66216178
N-(cyclohexylcarbamoyl)-2-hydroxyacetamide
CID 16769602
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(cyclopentylcarbamoyl)acetamide
CID 2708167
N-(cyclohexylcarbamoyl)-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 8593716
N-(cyclopentylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 4636840
N-(cyclohexylcarbamoyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 4808344
2-chloro-N-(cyclooctylcarbamoyl)acetamide
CID 43146080
2-chloro-N-(cyclohexylcarbamoyl)acetamide
CID 2424051
N-(cyclohexylcarbamoyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2655086

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-1,2,4-triazol-4-yl)-N-(cyclohexylcarbamoyl)acetamide?
The IUPAC name of 2-(3-cyano-1,2,4-triazol-4-yl)-N-(cyclohexylcarbamoyl)acetamide (CID 47120538) is 2-(3-cyano-1,2,4-triazol-4-yl)-N-(cyclohexylcarbamoyl)acetamide.
What is the SMILES notation for 2-(3-cyano-1,2,4-triazol-4-yl)-N-(cyclohexylcarbamoyl)acetamide?
The canonical SMILES for 2-(3-cyano-1,2,4-triazol-4-yl)-N-(cyclohexylcarbamoyl)acetamide is N#Cc1nncn1CC(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of 2-(3-cyano-1,2,4-triazol-4-yl)-N-(cyclohexylcarbamoyl)acetamide?
The InChIKey is VCGALUQPTYUMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c13-6-10-17-14-8-18(10)7-11(19)16-12(20)15-9-4-2-1-3-5-9/h8-9H,1-5,7H2,(H2,15,16,19,20).
What are the key properties of 2-(3-cyano-1,2,4-triazol-4-yl)-N-(cyclohexylcarbamoyl)acetamide?
2-(3-cyano-1,2,4-triazol-4-yl)-N-(cyclohexylcarbamoyl)acetamide has a molecular weight of 276.30 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-1,2,4-triazol-4-yl)-N-(cyclohexylcarbamoyl)acetamide is sourced from PubChem (CID 47120538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).