N-cyclopentyl-5-methyl-1-phenyltriazole-4-carboxamide

C15H18N4O — CID 16649242

IUPACN-cyclopentyl-5-methyl-1-phenyltriazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCCC2)nnn1-c1ccccc1
InChIInChI=1S/C15H18N4O/c1-11-14(15(20)16-12-7-5-6-8-12)17-18-19(11)13-9-3-2-4-10-13/h2-4,9-10,12H,5-8H2,1H3,(H,16,20)
InChIKeyVZUHNANZNUBBFY-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.25
Rot. Bonds3

About N-cyclopentyl-5-methyl-1-phenyltriazole-4-carboxamide

N-cyclopentyl-5-methyl-1-phenyltriazole-4-carboxamide (PubChem CID 16649242) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-cyclopentyl-5-methyl-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-methyl-1-phenyltriazole-4-carboxamide
PubChem CID16649242
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-cyclopentyl-5-methyl-1-phenyltriazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCCC2)nnn1-c1ccccc1
InChIInChI=1S/C15H18N4O/c1-11-14(15(20)16-12-7-5-6-8-12)17-18-19(11)13-9-3-2-4-10-13/h2-4,9-10,12H,5-8H2,1H3,(H,16,20)
InChIKeyVZUHNANZNUBBFY-UHFFFAOYSA-N
XLogP2.25
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-methyl-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-5-methyl-1-phenyltriazole-4-carboxamide (CID 16649242) is N-cyclopentyl-5-methyl-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-methyl-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-5-methyl-1-phenyltriazole-4-carboxamide is Cc1c(C(=O)NC2CCCC2)nnn1-c1ccccc1.
What is the InChIKey of N-cyclopentyl-5-methyl-1-phenyltriazole-4-carboxamide?
The InChIKey is VZUHNANZNUBBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11-14(15(20)16-12-7-5-6-8-12)17-18-19(11)13-9-3-2-4-10-13/h2-4,9-10,12H,5-8H2,1H3,(H,16,20).
What are the key properties of N-cyclopentyl-5-methyl-1-phenyltriazole-4-carboxamide?
N-cyclopentyl-5-methyl-1-phenyltriazole-4-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-methyl-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 16649242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).