2-hydroxy-3-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide

C15H20N4O2 — CID 86790778

IUPAC2-hydroxy-3-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCc1cccc(C(=O)NCc2nnc(C(C)C)n2C)c1O
InChIInChI=1S/C15H20N4O2/c1-9(2)14-18-17-12(19(14)4)8-16-15(21)11-7-5-6-10(3)13(11)20/h5-7,9,20H,8H2,1-4H3,(H,16,21)
InChIKeyPPEHOOVDHKGVJN-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.88
Rot. Bonds4

About 2-hydroxy-3-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide

2-hydroxy-3-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide (PubChem CID 86790778) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-3-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide
PubChem CID86790778
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-hydroxy-3-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCc1cccc(C(=O)NCc2nnc(C(C)C)n2C)c1O
InChIInChI=1S/C15H20N4O2/c1-9(2)14-18-17-12(19(14)4)8-16-15(21)11-7-5-6-10(3)13(11)20/h5-7,9,20H,8H2,1-4H3,(H,16,21)
InChIKeyPPEHOOVDHKGVJN-UHFFFAOYSA-N
XLogP1.88
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide
CID 99823077
2-hydroxy-3-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63237643
2-hydroxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700654
5-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-2-carboxamide
CID 86792370
2-hydroxy-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 110909044
N-[[4-(chloromethyl)phenyl]methyl]-2-hydroxy-3-methylbenzamide
CID 107233515
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-hydroxy-3-methylbenzamide
CID 61119089
N-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 60891251
2-hydroxy-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62848139
2-hydroxy-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114956373
2-methyl-N-[[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzamide
CID 5199950
2-hydroxy-3-methyl-N-[4-(propan-2-ylamino)butyl]benzamide
CID 167628085

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide?
The IUPAC name of 2-hydroxy-3-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide (CID 86790778) is 2-hydroxy-3-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-hydroxy-3-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-hydroxy-3-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide is Cc1cccc(C(=O)NCc2nnc(C(C)C)n2C)c1O.
What is the InChIKey of 2-hydroxy-3-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide?
The InChIKey is PPEHOOVDHKGVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-9(2)14-18-17-12(19(14)4)8-16-15(21)11-7-5-6-10(3)13(11)20/h5-7,9,20H,8H2,1-4H3,(H,16,21).
What are the key properties of 2-hydroxy-3-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide?
2-hydroxy-3-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide has a molecular weight of 288.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide is sourced from PubChem (CID 86790778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).