4-methyl-3-(4-methylphenyl)-1H-1,2,4-triazol-5-one

C10H11N3O — CID 3088276

IUPAC4-methyl-3-(4-methylphenyl)-1H-1,2,4-triazol-5-one
SMILESCc1ccc(-c2n[nH]c(=O)n2C)cc1
InChIInChI=1S/C10H11N3O/c1-7-3-5-8(6-4-7)9-11-12-10(14)13(9)2/h3-6H,1-2H3,(H,12,14)
InChIKeyMEIWMIJMSLTVRC-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.08
Rot. Bonds1

About 4-methyl-3-(4-methylphenyl)-1H-1,2,4-triazol-5-one

4-methyl-3-(4-methylphenyl)-1H-1,2,4-triazol-5-one (PubChem CID 3088276) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-methyl-3-(4-methylphenyl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-methyl-3-(4-methylphenyl)-1H-1,2,4-triazol-5-one
PubChem CID3088276
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-methyl-3-(4-methylphenyl)-1H-1,2,4-triazol-5-one
SMILESCc1ccc(-c2n[nH]c(=O)n2C)cc1
InChIInChI=1S/C10H11N3O/c1-7-3-5-8(6-4-7)9-11-12-10(14)13(9)2/h3-6H,1-2H3,(H,12,14)
InChIKeyMEIWMIJMSLTVRC-UHFFFAOYSA-N
XLogP1.08
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-5-phenyl-4H-1,2,4-triazole-3-thiol
CID 719799
3-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 135418902
4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
CID 702153
3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-phenyl-
CID 3039311
3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-chlorophenyl)-4-methyl-
CID 3087749
3H-1,2,4-Triazol-3-one, 1,2-dihydro-2-methyl-5-phenyl-
CID 135418901
3-(3-bromophenyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 4252358
Mdl-27192
CID 35793
3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,4-dimethyl-5-phenyl-
CID 120469
4-Ethyl-2,4-dihydro-2-methyl-5-phenyl-3H-1,2,4-triazol-3-one
CID 120470
3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-fluorophenyl)-4-methyl-
CID 3087750
3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(2-chlorophenyl)-4-methyl-
CID 3088269

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-methylphenyl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-methyl-3-(4-methylphenyl)-1H-1,2,4-triazol-5-one (CID 3088276) is 4-methyl-3-(4-methylphenyl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-methyl-3-(4-methylphenyl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-methyl-3-(4-methylphenyl)-1H-1,2,4-triazol-5-one is Cc1ccc(-c2n[nH]c(=O)n2C)cc1.
What is the InChIKey of 4-methyl-3-(4-methylphenyl)-1H-1,2,4-triazol-5-one?
The InChIKey is MEIWMIJMSLTVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7-3-5-8(6-4-7)9-11-12-10(14)13(9)2/h3-6H,1-2H3,(H,12,14).
What are the key properties of 4-methyl-3-(4-methylphenyl)-1H-1,2,4-triazol-5-one?
4-methyl-3-(4-methylphenyl)-1H-1,2,4-triazol-5-one has a molecular weight of 189.22 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-methylphenyl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 3088276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).