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

C17H23ClN6O2 — CID 119311439

IUPAC1-amino-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2ncn(CC(=O)NCc3ccccc3)n2)CCCC1
InChIInChI=1S/C17H22N6O2.ClH/c18-17(8-4-5-9-17)15(25)21-16-20-12-23(22-16)11-14(24)19-10-13-6-2-1-3-7-13;/h1-3,6-7,12H,4-5,8-11,18H2,(H,19,24)(H,21,22,25);1H
InChIKeyWMDPXAIIFLOFDV-UHFFFAOYSA-N
MW378.86 g/mol
LogP1.23
Rot. Bonds6

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

1-amino-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119311439) has the molecular formula C17H23ClN6O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is 1-amino-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119311439
Molecular FormulaC17H23ClN6O2
Molecular Weight378.86 g/mol
Exact Mass378.16
IUPAC Name1-amino-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2ncn(CC(=O)NCc3ccccc3)n2)CCCC1
InChIInChI=1S/C17H22N6O2.ClH/c18-17(8-4-5-9-17)15(25)21-16-20-12-23(22-16)11-14(24)19-10-13-6-2-1-3-7-13;/h1-3,6-7,12H,4-5,8-11,18H2,(H,19,24)(H,21,22,25);1H
InChIKeyWMDPXAIIFLOFDV-UHFFFAOYSA-N
XLogP1.23
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-amino-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

N-benzyl-2-(tetrazol-1-yl)acetamide
CID 2166167
N-[[3-(Trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-1-acetamide
CID 3299775
N-(3-Phenylpropyl)-1H-1,2,4-triazole-1-acetamide
CID 3731870
N-benzyl-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 749081
N-[(1S)-1-phenylethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 11957302
N-(2,5-difluorobenzyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 3836485
2-(3-nitro-1,2,4-triazol-1-yl)-N-(1-phenylethyl)acetamide
CID 2861353
N-(4-methylbenzyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 3457277
N-(1-benzylpiperidin-4-yl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 122188142
2-acetamido-N-benzyl-2-(1,2,4-triazol-1-yl)acetamide
CID 14978588
2-acetamido-N-benzyl-2-(tetrazol-1-yl)acetamide
CID 14978589
N-[3-oxo-3-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propyl]cyclopentanecarboxamide
CID 38305477

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride (CID 119311439) is 1-amino-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)Nc2ncn(CC(=O)NCc3ccccc3)n2)CCCC1.
What is the InChIKey of 1-amino-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is WMDPXAIIFLOFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2.ClH/c18-17(8-4-5-9-17)15(25)21-16-20-12-23(22-16)11-14(24)19-10-13-6-2-1-3-7-13;/h1-3,6-7,12H,4-5,8-11,18H2,(H,19,24)(H,21,22,25);1H.
What are the key properties of 1-amino-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride?
1-amino-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 378.86 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119311439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).