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

C16H24ClN5O — CID 119822435

IUPAC2-amino-2-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NC(C)c1cn(-c2ccccc2)nn1.Cl
InChIInChI=1S/C16H23N5O.ClH/c1-4-10-16(3,17)15(22)18-12(2)14-11-21(20-19-14)13-8-6-5-7-9-13;/h5-9,11-12H,4,10,17H2,1-3H3,(H,18,22);1H
InChIKeyLPNUZMAPANKXJD-UHFFFAOYSA-N
MW337.86 g/mol
LogP2.38
Rot. Bonds6

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

2-amino-2-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride (PubChem CID 119822435) has the molecular formula C16H24ClN5O and a molecular weight of 337.86 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride
PubChem CID119822435
Molecular FormulaC16H24ClN5O
Molecular Weight337.86 g/mol
Exact Mass337.17
IUPAC Name2-amino-2-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NC(C)c1cn(-c2ccccc2)nn1.Cl
InChIInChI=1S/C16H23N5O.ClH/c1-4-10-16(3,17)15(22)18-12(2)14-11-21(20-19-14)13-8-6-5-7-9-13;/h5-9,11-12H,4,10,17H2,1-3H3,(H,18,22);1H
InChIKeyLPNUZMAPANKXJD-UHFFFAOYSA-N
XLogP2.38
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.86
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride
CID 119345704
(2R)-2-amino-2-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 93340243
(2S)-2-amino-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide
CID 119822438
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
4-[1-(1-phenyltriazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674668
2-amino-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide;dihydrochloride
CID 119836867
3-amino-N-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]pyrazine-2-carboxamide
CID 97089427
N-[1-(1-phenyltriazol-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119822429
N-[1-(1-phenyltriazol-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119940587
N-[1-(1-phenyltriazol-4-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119822395
2-amino-2-methyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pentanamide;hydrochloride
CID 119799047

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride (CID 119822435) is 2-amino-2-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride is CCCC(C)(N)C(=O)NC(C)c1cn(-c2ccccc2)nn1.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride?
The InChIKey is LPNUZMAPANKXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O.ClH/c1-4-10-16(3,17)15(22)18-12(2)14-11-21(20-19-14)13-8-6-5-7-9-13;/h5-9,11-12H,4,10,17H2,1-3H3,(H,18,22);1H.
What are the key properties of 2-amino-2-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride?
2-amino-2-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride has a molecular weight of 337.86 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride is sourced from PubChem (CID 119822435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).