1-cyano-N-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide

C11H15N5O — CID 154752575

IUPAC1-cyano-N-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide
SMILESCc1nc(NC(=O)C2(C#N)CCCC2)n(C)n1
InChIInChI=1S/C11H15N5O/c1-8-13-10(16(2)15-8)14-9(17)11(7-12)5-3-4-6-11/h3-6H2,1-2H3,(H,13,14,15,17)
InChIKeyHEZFQURNKVXGAS-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.15
Rot. Bonds2

About 1-cyano-N-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide

1-cyano-N-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide (PubChem CID 154752575) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-cyano-N-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide
PubChem CID154752575
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name1-cyano-N-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide
SMILESCc1nc(NC(=O)C2(C#N)CCCC2)n(C)n1
InChIInChI=1S/C11H15N5O/c1-8-13-10(16(2)15-8)14-9(17)11(7-12)5-3-4-6-11/h3-6H2,1-2H3,(H,13,14,15,17)
InChIKeyHEZFQURNKVXGAS-UHFFFAOYSA-N
XLogP1.15
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide (CID 154752575) is 1-cyano-N-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide is Cc1nc(NC(=O)C2(C#N)CCCC2)n(C)n1.
What is the InChIKey of 1-cyano-N-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide?
The InChIKey is HEZFQURNKVXGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-8-13-10(16(2)15-8)14-9(17)11(7-12)5-3-4-6-11/h3-6H2,1-2H3,(H,13,14,15,17).
What are the key properties of 1-cyano-N-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide?
1-cyano-N-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2,5-dimethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 154752575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).