2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide

C15H19N5O — CID 82764172

IUPAC2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide
SMILESCC1(C(=O)Nc2ccccc2-n2cncn2)CCCC1N
InChIInChI=1S/C15H19N5O/c1-15(8-4-7-13(15)16)14(21)19-11-5-2-3-6-12(11)20-10-17-9-18-20/h2-3,5-6,9-10,13H,4,7-8,16H2,1H3,(H,19,21)
InChIKeySOKJIDFOWFAHCF-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.72
Rot. Bonds3

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

2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide (PubChem CID 82764172) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide
PubChem CID82764172
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide
SMILESCC1(C(=O)Nc2ccccc2-n2cncn2)CCCC1N
InChIInChI=1S/C15H19N5O/c1-15(8-4-7-13(15)16)14(21)19-11-5-2-3-6-12(11)20-10-17-9-18-20/h2-3,5-6,9-10,13H,4,7-8,16H2,1H3,(H,19,21)
InChIKeySOKJIDFOWFAHCF-UHFFFAOYSA-N
XLogP1.72
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide
CID 82758704
3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 63139606
2-amino-N-(2-ethylphenyl)-1-methylcyclopentane-1-carboxamide
CID 82765748
2-amino-1-methyl-N-(2-propylphenyl)cyclopentane-1-carboxamide
CID 82764407
N-cyclopropyl-2-(1,2,4-triazol-1-yl)aniline
CID 103439007
4-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]oxolane-3-carboxamide
CID 66240824
(2S)-N-[2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide
CID 104913002
(2R)-2-amino-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 79011417
3-(propan-2-ylamino)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 60854707
N-(2,6-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)aniline
CID 43711534
2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 43699115
2-(aminomethyl)-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 65225295

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide (CID 82764172) is 2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide is CC1(C(=O)Nc2ccccc2-n2cncn2)CCCC1N.
What is the InChIKey of 2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is SOKJIDFOWFAHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-15(8-4-7-13(15)16)14(21)19-11-5-2-3-6-12(11)20-10-17-9-18-20/h2-3,5-6,9-10,13H,4,7-8,16H2,1H3,(H,19,21).
What are the key properties of 2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide?
2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 82764172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).