3-amino-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide

C15H19N5O — CID 119861390

IUPAC3-amino-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccccc2Cn2cncn2)C1
InChIInChI=1S/C15H19N5O/c16-13-6-5-11(7-13)15(21)19-14-4-2-1-3-12(14)8-20-10-17-9-18-20/h1-4,9-11,13H,5-8,16H2,(H,19,21)
InChIKeyQLFDUSZRHUFFQX-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.39
Rot. Bonds4

About 3-amino-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide

3-amino-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide (PubChem CID 119861390) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-amino-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide
PubChem CID119861390
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name3-amino-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccccc2Cn2cncn2)C1
InChIInChI=1S/C15H19N5O/c16-13-6-5-11(7-13)15(21)19-14-4-2-1-3-12(14)8-20-10-17-9-18-20/h1-4,9-11,13H,5-8,16H2,(H,19,21)
InChIKeyQLFDUSZRHUFFQX-UHFFFAOYSA-N
XLogP1.39
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119843462
3-amino-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119838440
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide
CID 66007479
1-(5-methylthiophen-2-yl)sulfonyl-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 55908279
3-amino-N-(2-pyrazol-1-yl-3-pyridinyl)cyclopentane-1-carboxamide
CID 66008743
3-amino-N-(2-iodophenyl)cyclopentane-1-carboxamide
CID 66030489
3-amino-N-(2-pyrazol-1-ylphenyl)cyclopentane-1-carboxamide
CID 66010182
3-ethenyl-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
CID 167807379
3-amino-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119846731
3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]cyclohexane-1-carboxamide
CID 119852898
3-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 87031833
3-amino-N-(2-phenylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119675324

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide (CID 119861390) is 3-amino-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide is NC1CCC(C(=O)Nc2ccccc2Cn2cncn2)C1.
What is the InChIKey of 3-amino-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is QLFDUSZRHUFFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c16-13-6-5-11(7-13)15(21)19-14-4-2-1-3-12(14)8-20-10-17-9-18-20/h1-4,9-11,13H,5-8,16H2,(H,19,21).
What are the key properties of 3-amino-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide?
3-amino-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119861390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).