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

C15H20ClN5O — CID 119291921

IUPAC1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCc2nncn2-c2ccccc2)CCCC1
InChIInChI=1S/C15H19N5O.ClH/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);1H
InChIKeyWLWVZZCPTHSVEW-UHFFFAOYSA-N
MW321.81 g/mol
LogP1.58
Rot. Bonds4

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

1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119291921) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is 1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119291921
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC Name1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCc2nncn2-c2ccccc2)CCCC1
InChIInChI=1S/C15H19N5O.ClH/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);1H
InChIKeyWLWVZZCPTHSVEW-UHFFFAOYSA-N
XLogP1.58
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 51.58
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;hydrochloride?
The IUPAC name of 1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride (CID 119291921) is 1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride is Cl.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;hydrochloride?
The InChIKey is WLWVZZCPTHSVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O.ClH/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);1H.
What are the key properties of 1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride?
1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 321.81 g/mol, XLogP of 1.58, 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;hydrochloride is sourced from PubChem (CID 119291921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).