N-[1-(aminomethyl)cyclopentyl]-1-phenyltriazole-4-carboxamide;hydrochloride

C15H20ClN5O — CID 119566010

IUPACN-[1-(aminomethyl)cyclopentyl]-1-phenyltriazole-4-carboxamide;hydrochloride
SMILESCl.NCC1(NC(=O)c2cn(-c3ccccc3)nn2)CCCC1
InChIInChI=1S/C15H19N5O.ClH/c16-11-15(8-4-5-9-15)17-14(21)13-10-20(19-18-13)12-6-2-1-3-7-12;/h1-3,6-7,10H,4-5,8-9,11,16H2,(H,17,21);1H
InChIKeyNRFUFKYSRQKOOQ-UHFFFAOYSA-N
MW321.81 g/mol
LogP1.69
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-1-phenyltriazole-4-carboxamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-1-phenyltriazole-4-carboxamide;hydrochloride (PubChem CID 119566010) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-1-phenyltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-1-phenyltriazole-4-carboxamide;hydrochloride
PubChem CID119566010
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-1-phenyltriazole-4-carboxamide;hydrochloride
SMILESCl.NCC1(NC(=O)c2cn(-c3ccccc3)nn2)CCCC1
InChIInChI=1S/C15H19N5O.ClH/c16-11-15(8-4-5-9-15)17-14(21)13-10-20(19-18-13)12-6-2-1-3-7-12;/h1-3,6-7,10H,4-5,8-9,11,16H2,(H,17,21);1H
InChIKeyNRFUFKYSRQKOOQ-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 119565658
N-[(1-hydroxycycloheptyl)methyl]-1-phenyltriazole-4-carboxamide
CID 111433180
N-(2-amino-2-methylpropyl)-1-phenyltriazole-4-carboxamide;hydrochloride
CID 119627298
N-[1-[(dimethylamino)methyl]cyclobutyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 100692044
N-cyano-1-phenyltriazole-4-carboxamide
CID 79194691
N-(1-oxaspiro[4.5]decan-3-yl)-1-phenyltriazole-4-carboxamide
CID 56901358
N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
CID 119567001
N-[(1R,2R)-2-hydroxycyclohexyl]-1-phenyltriazole-4-carboxamide
CID 104927751
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyltriazole-4-carboxamide;hydrochloride
CID 120890524
N-[1-(aminomethyl)cyclopentyl]-2H-triazole-4-carboxamide
CID 63888380
N-[1-(aminomethyl)cyclopentyl]-5-chloropyridine-2-carboxamide;dihydrochloride
CID 119566570
N-(4-hydroxybutyl)-1-phenyltriazole-4-carboxamide
CID 106843500

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-phenyltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-1-phenyltriazole-4-carboxamide;hydrochloride (CID 119566010) is N-[1-(aminomethyl)cyclopentyl]-1-phenyltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-1-phenyltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-1-phenyltriazole-4-carboxamide;hydrochloride is Cl.NCC1(NC(=O)c2cn(-c3ccccc3)nn2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-1-phenyltriazole-4-carboxamide;hydrochloride?
The InChIKey is NRFUFKYSRQKOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O.ClH/c16-11-15(8-4-5-9-15)17-14(21)13-10-20(19-18-13)12-6-2-1-3-7-12;/h1-3,6-7,10H,4-5,8-9,11,16H2,(H,17,21);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-1-phenyltriazole-4-carboxamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-1-phenyltriazole-4-carboxamide;hydrochloride has a molecular weight of 321.81 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-1-phenyltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119566010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).