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

C15H19N5O — CID 119291922

IUPAC1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCc2nncn2-c2ccccc2)CCCC1
InChIInChI=1S/C15H19N5O/c16-15(8-4-5-9-15)14(21)17-10-13-19-18-11-20(13)12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10,16H2,(H,17,21)
InChIKeyJNFUIOKTIOYBAP-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.15
Rot. Bonds4

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

1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 119291922) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide
PubChem CID119291922
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCc2nncn2-c2ccccc2)CCCC1
InChIInChI=1S/C15H19N5O/c16-15(8-4-5-9-15)14(21)17-10-13-19-18-11-20(13)12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10,16H2,(H,17,21)
InChIKeyJNFUIOKTIOYBAP-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide (CID 119291922) is 1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide is NC1(C(=O)NCc2nncn2-c2ccccc2)CCCC1.
What is the InChIKey of 1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is JNFUIOKTIOYBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c16-15(8-4-5-9-15)14(21)17-10-13-19-18-11-20(13)12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10,16H2,(H,17,21).
What are the key properties of 1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide?
1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119291922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).