N-[2-(aminomethyl)cyclopentyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide;dihydrochloride

C15H22Cl2N6O — CID 119604139

IUPACN-[2-(aminomethyl)cyclopentyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1CCCC1NC(=O)c1cn(Cc2ccccn2)nn1
InChIInChI=1S/C15H20N6O.2ClH/c16-8-11-4-3-6-13(11)18-15(22)14-10-21(20-19-14)9-12-5-1-2-7-17-12;;/h1-2,5,7,10-11,13H,3-4,6,8-9,16H2,(H,18,22);2*1H
InChIKeyGOIYFYJKUAEZSR-UHFFFAOYSA-N
MW373.29 g/mol
LogP1.42
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide;dihydrochloride

N-[2-(aminomethyl)cyclopentyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide;dihydrochloride (PubChem CID 119604139) has the molecular formula C15H22Cl2N6O and a molecular weight of 373.29 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide;dihydrochloride
PubChem CID119604139
Molecular FormulaC15H22Cl2N6O
Molecular Weight373.29 g/mol
Exact Mass372.12
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1CCCC1NC(=O)c1cn(Cc2ccccn2)nn1
InChIInChI=1S/C15H20N6O.2ClH/c16-8-11-4-3-6-13(11)18-15(22)14-10-21(20-19-14)9-12-5-1-2-7-17-12;;/h1-2,5,7,10-11,13H,3-4,6,8-9,16H2,(H,18,22);2*1H
InChIKeyGOIYFYJKUAEZSR-UHFFFAOYSA-N
XLogP1.42
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119610471
N-[2-(aminomethyl)cyclopentyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119605119
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 119608152
N-[2-(aminomethyl)cyclopentyl]quinoxaline-2-carboxamide;dihydrochloride
CID 119600664
1-benzyl-N-(2-tert-butylcyclohexyl)triazole-4-carboxamide
CID 43060445
[3-(methylamino)piperidin-1-yl]-[1-(pyridin-2-ylmethyl)triazol-4-yl]methanone
CID 119492333
(3-methylcyclohexyl) 1-(pyridin-2-ylmethyl)triazole-4-carboxylate
CID 71988198
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide
CID 139013357
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclohexyl]pyrazine-2-carboxamide;dihydrochloride
CID 119611743
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 154833134
N-[2-(aminomethyl)cyclohexyl]isoquinoline-1-carboxamide;dihydrochloride
CID 119610583

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide;dihydrochloride (CID 119604139) is N-[2-(aminomethyl)cyclopentyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide;dihydrochloride is Cl.Cl.NCC1CCCC1NC(=O)c1cn(Cc2ccccn2)nn1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide;dihydrochloride?
The InChIKey is GOIYFYJKUAEZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O.2ClH/c16-8-11-4-3-6-13(11)18-15(22)14-10-21(20-19-14)9-12-5-1-2-7-17-12;;/h1-2,5,7,10-11,13H,3-4,6,8-9,16H2,(H,18,22);2*1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide;dihydrochloride?
N-[2-(aminomethyl)cyclopentyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide;dihydrochloride has a molecular weight of 373.29 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119604139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).