3-(3,5-dimethylpyrazol-1-yl)-6-methyl-4H-1,2,4-triazin-5-one

C9H11N5O — CID 135447992

IUPAC3-(3,5-dimethylpyrazol-1-yl)-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1cc(C)n(-c2nnc(C)c(=O)[nH]2)n1
InChIInChI=1S/C9H11N5O/c1-5-4-6(2)14(13-5)9-10-8(15)7(3)11-12-9/h4H,1-3H3,(H,10,12,15)
InChIKeyLGDSNJPELVQDAX-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.28
Rot. Bonds1

About 3-(3,5-dimethylpyrazol-1-yl)-6-methyl-4H-1,2,4-triazin-5-one

3-(3,5-dimethylpyrazol-1-yl)-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135447992) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135447992
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1cc(C)n(-c2nnc(C)c(=O)[nH]2)n1
InChIInChI=1S/C9H11N5O/c1-5-4-6(2)14(13-5)9-10-8(15)7(3)11-12-9/h4H,1-3H3,(H,10,12,15)
InChIKeyLGDSNJPELVQDAX-UHFFFAOYSA-N
XLogP0.28
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3,5-dimethylpyrazol-1-yl)-6-methyl-4H-1,2,4-triazin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-Dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-ol
CID 135449532
3,5-Dimethylpyrazole-1-carboxamidine monohydrochloride
CID 218002
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-methyl-3,4-dihydropyrimidin-4-one
CID 135778888
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-ethyl-3,4-dihydropyrimidin-4-one
CID 135876292
2-(3,5-dimethyl-1H-pyrazol-1-yl)-4,6-pyrimidinediol
CID 1210988
3,5-Dimethyl-1H-pyrazole-1-carboxamide
CID 70280
3,5-Dimethylpyrazole-1-carboxamidine
CID 97525
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-propyl-3,4-dihydropyrimidin-4-one
CID 135876298
2-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136740737
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 162660614
4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)-1H-pyrimidin-6-one
CID 162662513
2-(3,5-diethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 162667485

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-methyl-4H-1,2,4-triazin-5-one (CID 135447992) is 3-(3,5-dimethylpyrazol-1-yl)-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-6-methyl-4H-1,2,4-triazin-5-one is Cc1cc(C)n(-c2nnc(C)c(=O)[nH]2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is LGDSNJPELVQDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-5-4-6(2)14(13-5)9-10-8(15)7(3)11-12-9/h4H,1-3H3,(H,10,12,15).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-6-methyl-4H-1,2,4-triazin-5-one?
3-(3,5-dimethylpyrazol-1-yl)-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 205.22 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135447992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).