2-amino-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]pentanamide

C16H23N5O — CID 119345028

IUPAC2-amino-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]pentanamide
SMILESCCCC(N)C(=O)NC(C)(C)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C16H23N5O/c1-4-8-13(17)15(22)18-16(2,3)14-11-21(20-19-14)12-9-6-5-7-10-12/h5-7,9-11,13H,4,8,17H2,1-3H3,(H,18,22)
InChIKeyQMCBTOWLKMGUQM-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.75
Rot. Bonds6

About 2-amino-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]pentanamide

2-amino-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]pentanamide (PubChem CID 119345028) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-amino-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]pentanamide
PubChem CID119345028
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name2-amino-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]pentanamide
SMILESCCCC(N)C(=O)NC(C)(C)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C16H23N5O/c1-4-8-13(17)15(22)18-16(2,3)14-11-21(20-19-14)12-9-6-5-7-10-12/h5-7,9-11,13H,4,8,17H2,1-3H3,(H,18,22)
InChIKeyQMCBTOWLKMGUQM-UHFFFAOYSA-N
XLogP1.75
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]acetamide
CID 119345024
2-amino-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride
CID 119345704
2-(1-phenyltriazol-4-yl)propan-2-amine
CID 63997710
4-[2-(1-phenyltriazol-4-yl)propan-2-ylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122024393
2-(1-phenyltriazol-4-yl)propan-2-amine;hydrochloride
CID 71755859
2-[[(2S)-2-aminopentanoyl]amino]-2-phenylpropanoic acid
CID 103870869
2-amino-N-(1-phenylpyrazol-3-yl)pentanamide;hydrochloride
CID 119278205
2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)pentanamide
CID 105058238
(2S)-2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)pentanamide
CID 107570839
butyl (E)-3-[3-[(E)-3-butoxy-3-oxoprop-1-enyl]-5-methyl-2-[2-oxo-2-[2-(1-phenyltriazol-4-yl)propan-2-ylamino]ethyl]phenyl]prop-2-enoate
CID 132542038
2-amino-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 115734086
2-amino-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]pentanamide;dihydrochloride
CID 119870218

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]pentanamide?
The IUPAC name of 2-amino-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]pentanamide (CID 119345028) is 2-amino-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]pentanamide.
What is the SMILES notation for 2-amino-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]pentanamide?
The canonical SMILES for 2-amino-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]pentanamide is CCCC(N)C(=O)NC(C)(C)c1cn(-c2ccccc2)nn1.
What is the InChIKey of 2-amino-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]pentanamide?
The InChIKey is QMCBTOWLKMGUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-4-8-13(17)15(22)18-16(2,3)14-11-21(20-19-14)12-9-6-5-7-10-12/h5-7,9-11,13H,4,8,17H2,1-3H3,(H,18,22).
What are the key properties of 2-amino-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]pentanamide?
2-amino-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]pentanamide has a molecular weight of 301.39 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]pentanamide is sourced from PubChem (CID 119345028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).