2-(2,2-dimethylpropyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide

C15H20N4O2 — CID 138026413

IUPAC2-(2,2-dimethylpropyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCC(C)(C)Cc1ccccc1C(=O)NCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C15H20N4O2/c1-15(2,3)8-10-6-4-5-7-11(10)13(20)16-9-12-17-14(21)19-18-12/h4-7H,8-9H2,1-3H3,(H,16,20)(H2,17,18,19,21)
InChIKeyGKMZOYNIMKOLDR-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.62
Rot. Bonds4

About 2-(2,2-dimethylpropyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide

2-(2,2-dimethylpropyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide (PubChem CID 138026413) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide
PubChem CID138026413
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-(2,2-dimethylpropyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCC(C)(C)Cc1ccccc1C(=O)NCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C15H20N4O2/c1-15(2,3)8-10-6-4-5-7-11(10)13(20)16-9-12-17-14(21)19-18-12/h4-7H,8-9H2,1-3H3,(H,16,20)(H2,17,18,19,21)
InChIKeyGKMZOYNIMKOLDR-UHFFFAOYSA-N
XLogP1.62
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(2,2-dimethylpropyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide with MolForge

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Related Compounds

2-(2-methyl-1H-indol-3-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
CID 137200070
3-(3-tert-butylphenyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide
CID 137092374
(2S)-2-methoxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide
CID 136728323
N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylacetamide
CID 154862718
3-(anilinomethyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135656156
2-(4-chlorophenyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide
CID 136993193
3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 137210287
N-[(2-chlorophenyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832010
3,5-dibromo-4-hydroxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide
CID 138044542
8-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 137205295
2,7-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 137001767
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(2-methylphenyl)benzamide
CID 91782901

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide?
The IUPAC name of 2-(2,2-dimethylpropyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide (CID 138026413) is 2-(2,2-dimethylpropyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-(2,2-dimethylpropyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide is CC(C)(C)Cc1ccccc1C(=O)NCc1n[nH]c(=O)[nH]1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide?
The InChIKey is GKMZOYNIMKOLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-15(2,3)8-10-6-4-5-7-11(10)13(20)16-9-12-17-14(21)19-18-12/h4-7H,8-9H2,1-3H3,(H,16,20)(H2,17,18,19,21).
What are the key properties of 2-(2,2-dimethylpropyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide?
2-(2,2-dimethylpropyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide has a molecular weight of 288.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide is sourced from PubChem (CID 138026413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).