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

C17H23ClN6O2 — CID 119762755

IUPAC3-amino-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)Nc2ncn(CC(=O)NCc3ccccc3)n2)C1
InChIInChI=1S/C17H22N6O2.ClH/c18-14-7-6-13(8-14)16(25)21-17-20-11-23(22-17)10-15(24)19-9-12-4-2-1-3-5-12;/h1-5,11,13-14H,6-10,18H2,(H,19,24)(H,21,22,25);1H
InChIKeyMRCSXWKACWUSNB-UHFFFAOYSA-N
MW378.86 g/mol
LogP1.08
Rot. Bonds6

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

3-amino-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119762755) has the molecular formula C17H23ClN6O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is 3-amino-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119762755
Molecular FormulaC17H23ClN6O2
Molecular Weight378.86 g/mol
Exact Mass378.16
IUPAC Name3-amino-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)Nc2ncn(CC(=O)NCc3ccccc3)n2)C1
InChIInChI=1S/C17H22N6O2.ClH/c18-14-7-6-13(8-14)16(25)21-17-20-11-23(22-17)10-15(24)19-9-12-4-2-1-3-5-12;/h1-5,11,13-14H,6-10,18H2,(H,19,24)(H,21,22,25);1H
InChIKeyMRCSXWKACWUSNB-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-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

trans-(1R,2R)-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-methoxycyclopropane-1-carboxamide
CID 136585717
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]acetamide
CID 119762770
3-amino-N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119762717
1-amino-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119311439
3-amino-N-[(1-benzylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119728085
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-4-phenyloxane-4-carboxamide
CID 60622104
3-amino-N-(2-benzyl-5-methylpyrazol-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119704830
N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 60622129
3-amino-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119838440
N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-(3,4-dichlorophenyl)-2-methylpropanamide
CID 60622103
3-amino-N-[[4-(4-phenoxybutanoylamino)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119718484

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride (CID 119762755) is 3-amino-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride is Cl.NC1CCC(C(=O)Nc2ncn(CC(=O)NCc3ccccc3)n2)C1.
What is the InChIKey of 3-amino-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is MRCSXWKACWUSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2.ClH/c18-14-7-6-13(8-14)16(25)21-17-20-11-23(22-17)10-15(24)19-9-12-4-2-1-3-5-12;/h1-5,11,13-14H,6-10,18H2,(H,19,24)(H,21,22,25);1H.
What are the key properties of 3-amino-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride?
3-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 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119762755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).