2-(3-cyano-1,2,4-triazol-1-yl)-N-cyclohexyl-N-propan-2-ylacetamide

C14H21N5O — CID 17455382

IUPAC2-(3-cyano-1,2,4-triazol-1-yl)-N-cyclohexyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)Cn1cnc(C#N)n1)C1CCCCC1
InChIInChI=1S/C14H21N5O/c1-11(2)19(12-6-4-3-5-7-12)14(20)9-18-10-16-13(8-15)17-18/h10-12H,3-7,9H2,1-2H3
InChIKeyPJXVRTPCUJIISS-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.72
Rot. Bonds4

About 2-(3-cyano-1,2,4-triazol-1-yl)-N-cyclohexyl-N-propan-2-ylacetamide

2-(3-cyano-1,2,4-triazol-1-yl)-N-cyclohexyl-N-propan-2-ylacetamide (PubChem CID 17455382) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-(3-cyano-1,2,4-triazol-1-yl)-N-cyclohexyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-cyano-1,2,4-triazol-1-yl)-N-cyclohexyl-N-propan-2-ylacetamide
PubChem CID17455382
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-(3-cyano-1,2,4-triazol-1-yl)-N-cyclohexyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)Cn1cnc(C#N)n1)C1CCCCC1
InChIInChI=1S/C14H21N5O/c1-11(2)19(12-6-4-3-5-7-12)14(20)9-18-10-16-13(8-15)17-18/h10-12H,3-7,9H2,1-2H3
InChIKeyPJXVRTPCUJIISS-UHFFFAOYSA-N
XLogP1.72
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-1,2,4-triazol-1-yl)-N-cyclohexyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-cyano-1,2,4-triazol-1-yl)-N-cyclohexyl-N-propan-2-ylacetamide (CID 17455382) is 2-(3-cyano-1,2,4-triazol-1-yl)-N-cyclohexyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-cyano-1,2,4-triazol-1-yl)-N-cyclohexyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-cyano-1,2,4-triazol-1-yl)-N-cyclohexyl-N-propan-2-ylacetamide is CC(C)N(C(=O)Cn1cnc(C#N)n1)C1CCCCC1.
What is the InChIKey of 2-(3-cyano-1,2,4-triazol-1-yl)-N-cyclohexyl-N-propan-2-ylacetamide?
The InChIKey is PJXVRTPCUJIISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-11(2)19(12-6-4-3-5-7-12)14(20)9-18-10-16-13(8-15)17-18/h10-12H,3-7,9H2,1-2H3.
What are the key properties of 2-(3-cyano-1,2,4-triazol-1-yl)-N-cyclohexyl-N-propan-2-ylacetamide?
2-(3-cyano-1,2,4-triazol-1-yl)-N-cyclohexyl-N-propan-2-ylacetamide has a molecular weight of 275.36 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-1,2,4-triazol-1-yl)-N-cyclohexyl-N-propan-2-ylacetamide is sourced from PubChem (CID 17455382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).