2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide

C14H19N5O — CID 119878813

IUPAC2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCC(C)n1cnnc1CNC(=O)C(N)c1ccccc1
InChIInChI=1S/C14H19N5O/c1-10(2)19-9-17-18-12(19)8-16-14(20)13(15)11-6-4-3-5-7-11/h3-7,9-10,13H,8,15H2,1-2H3,(H,16,20)
InChIKeyKQPOKCFXJKIZRF-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.18
Rot. Bonds5

About 2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide

2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 119878813) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID119878813
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCC(C)n1cnnc1CNC(=O)C(N)c1ccccc1
InChIInChI=1S/C14H19N5O/c1-10(2)19-9-17-18-12(19)8-16-14(20)13(15)11-6-4-3-5-7-11/h3-7,9-10,13H,8,15H2,1-2H3,(H,16,20)
InChIKeyKQPOKCFXJKIZRF-UHFFFAOYSA-N
XLogP1.18
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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(1R)-3-(5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-3-oxo-1-(2,4,5-trifluorobenzyl)propylamine hydrochloride
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N-[1-(4-Ethylphenyl)ethyl]-1H-1,2,4-triazole-3-carboxamide
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N-[(1S)-3-[4-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-1-piperidyl]-1-phenyl-butyl]cyclobutanecarboxamide
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(2R)-N-[(2R)-6-amino-1-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-oxohexan-2-yl]-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
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N-[(1S)-1-phenylethyl]-2-(1,2,4-triazol-1-yl)acetamide
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(3R)-3-amino-4-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one;hydrochloride
CID 23644660

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide (CID 119878813) is 2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide is CC(C)n1cnnc1CNC(=O)C(N)c1ccccc1.
What is the InChIKey of 2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is KQPOKCFXJKIZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10(2)19-9-17-18-12(19)8-16-14(20)13(15)11-6-4-3-5-7-11/h3-7,9-10,13H,8,15H2,1-2H3,(H,16,20).
What are the key properties of 2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide?
2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 273.34 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 119878813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).