4-(2,4-dimethylphenyl)-3-pyrazin-2-yl-1H-1,2,4-triazol-5-one

C14H13N5O — CID 71474968

IUPAC4-(2,4-dimethylphenyl)-3-pyrazin-2-yl-1H-1,2,4-triazol-5-one
SMILESCc1ccc(-n2c(-c3cnccn3)n[nH]c2=O)c(C)c1
InChIInChI=1S/C14H13N5O/c1-9-3-4-12(10(2)7-9)19-13(17-18-14(19)20)11-8-15-5-6-16-11/h3-8H,1-2H3,(H,18,20)
InChIKeyCJPPBUJDTFXFGT-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.63
Rot. Bonds2

About 4-(2,4-dimethylphenyl)-3-pyrazin-2-yl-1H-1,2,4-triazol-5-one

4-(2,4-dimethylphenyl)-3-pyrazin-2-yl-1H-1,2,4-triazol-5-one (PubChem CID 71474968) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-3-pyrazin-2-yl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-3-pyrazin-2-yl-1H-1,2,4-triazol-5-one
PubChem CID71474968
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name4-(2,4-dimethylphenyl)-3-pyrazin-2-yl-1H-1,2,4-triazol-5-one
SMILESCc1ccc(-n2c(-c3cnccn3)n[nH]c2=O)c(C)c1
InChIInChI=1S/C14H13N5O/c1-9-3-4-12(10(2)7-9)19-13(17-18-14(19)20)11-8-15-5-6-16-11/h3-8H,1-2H3,(H,18,20)
InChIKeyCJPPBUJDTFXFGT-UHFFFAOYSA-N
XLogP1.63
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(chloromethyl)-1-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine
CID 79292852
4-(4-methoxy-2-methylphenyl)-3-methyl-1H-1,2,4-triazol-5-one
CID 50968338
2-(4,5-dimethyl-6-oxo-2-pyrazin-2-ylpyrimidin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 175667175
6-methyl-2-pyrazin-2-ylimidazo[1,2-a]pyridine
CID 115403802
1-(2,4-dimethylphenyl)pyrazole
CID 13066329
2-(2-fluoro-4-methylphenyl)pyrazine
CID 175164456
3-(2,4-dimethylphenyl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293547
5-methyl-2-pyrazin-2-ylbenzoic acid
CID 81111608
1-[[4-(2,4-dimethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]quinoxalin-2-one
CID 10361349
4-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid
CID 935833
2-amino-1-(2,4-dimethylphenyl)-7H-purin-6-one
CID 123912992
3-(4-bromophenyl)-4-(2,4-dimethylphenyl)-1H-1,2,4-triazole-5-thione
CID 991288

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-3-pyrazin-2-yl-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-(2,4-dimethylphenyl)-3-pyrazin-2-yl-1H-1,2,4-triazol-5-one (CID 71474968) is 4-(2,4-dimethylphenyl)-3-pyrazin-2-yl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-3-pyrazin-2-yl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-(2,4-dimethylphenyl)-3-pyrazin-2-yl-1H-1,2,4-triazol-5-one is Cc1ccc(-n2c(-c3cnccn3)n[nH]c2=O)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-3-pyrazin-2-yl-1H-1,2,4-triazol-5-one?
The InChIKey is CJPPBUJDTFXFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-9-3-4-12(10(2)7-9)19-13(17-18-14(19)20)11-8-15-5-6-16-11/h3-8H,1-2H3,(H,18,20).
What are the key properties of 4-(2,4-dimethylphenyl)-3-pyrazin-2-yl-1H-1,2,4-triazol-5-one?
4-(2,4-dimethylphenyl)-3-pyrazin-2-yl-1H-1,2,4-triazol-5-one has a molecular weight of 267.29 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-3-pyrazin-2-yl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 71474968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).