2-amino-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride

C15H22ClN5O — CID 119345704

IUPAC2-amino-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC(C)c1cn(-c2ccccc2)nn1.Cl
InChIInChI=1S/C15H21N5O.ClH/c1-3-7-13(16)15(21)17-11(2)14-10-20(19-18-14)12-8-5-4-6-9-12;/h4-6,8-11,13H,3,7,16H2,1-2H3,(H,17,21);1H
InChIKeyKKOSNNDKSGARDY-UHFFFAOYSA-N
MW323.83 g/mol
LogP1.99
Rot. Bonds6

About 2-amino-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride

2-amino-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride (PubChem CID 119345704) has the molecular formula C15H22ClN5O and a molecular weight of 323.83 g/mol. Its IUPAC name is 2-amino-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride
PubChem CID119345704
Molecular FormulaC15H22ClN5O
Molecular Weight323.83 g/mol
Exact Mass323.15
IUPAC Name2-amino-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC(C)c1cn(-c2ccccc2)nn1.Cl
InChIInChI=1S/C15H21N5O.ClH/c1-3-7-13(16)15(21)17-11(2)14-10-20(19-18-14)12-8-5-4-6-9-12;/h4-6,8-11,13H,3,7,16H2,1-2H3,(H,17,21);1H
InChIKeyKKOSNNDKSGARDY-UHFFFAOYSA-N
XLogP1.99
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide
CID 119822438
2-amino-2-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride
CID 119822435
2-amino-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]pentanamide
CID 119345028
2-amino-N-(1-pyridin-2-ylethyl)pentanamide
CID 43650304
(2S)-2-amino-N-[(1R)-1-pyridin-2-ylethyl]pentanamide
CID 107570243
4-[1-(1-phenyltriazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674668
2-amino-N-(1-phenylpyrazol-3-yl)pentanamide;hydrochloride
CID 119278205
N-[1-(1-phenyltriazol-4-yl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119345694
N-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 71917956
2-amino-N-[1-(2-bromophenyl)ethyl]pentanamide;hydrochloride
CID 119269427
2-[ethyl-[3-[1-(1-phenyltriazol-4-yl)ethylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122006792
2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride
CID 119269406

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride (CID 119345704) is 2-amino-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride is CCCC(N)C(=O)NC(C)c1cn(-c2ccccc2)nn1.Cl.
What is the InChIKey of 2-amino-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride?
The InChIKey is KKOSNNDKSGARDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O.ClH/c1-3-7-13(16)15(21)17-11(2)14-10-20(19-18-14)12-8-5-4-6-9-12;/h4-6,8-11,13H,3,7,16H2,1-2H3,(H,17,21);1H.
What are the key properties of 2-amino-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride?
2-amino-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride has a molecular weight of 323.83 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride is sourced from PubChem (CID 119345704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).