5-methyl-2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-3-one

C10H10N6O — CID 71685915

IUPAC5-methyl-2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-3-one
SMILESCc1cc(=O)n(-c2ccc3nnc(C)n3n2)[nH]1
InChIInChI=1S/C10H10N6O/c1-6-5-10(17)16(13-6)9-4-3-8-12-11-7(2)15(8)14-9/h3-5,13H,1-2H3
InChIKeyWEVMRTYXAXFTLC-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.22
Rot. Bonds1

About 5-methyl-2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-3-one

5-methyl-2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-3-one (PubChem CID 71685915) has the molecular formula C10H10N6O and a molecular weight of 230.23 g/mol. Its IUPAC name is 5-methyl-2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-3-one
PubChem CID71685915
Molecular FormulaC10H10N6O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name5-methyl-2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-3-one
SMILESCc1cc(=O)n(-c2ccc3nnc(C)n3n2)[nH]1
InChIInChI=1S/C10H10N6O/c1-6-5-10(17)16(13-6)9-4-3-8-12-11-7(2)15(8)14-9/h3-5,13H,1-2H3
InChIKeyWEVMRTYXAXFTLC-UHFFFAOYSA-N
XLogP0.22
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-3-one?
The IUPAC name of 5-methyl-2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-3-one (CID 71685915) is 5-methyl-2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-3-one?
The canonical SMILES for 5-methyl-2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-3-one is Cc1cc(=O)n(-c2ccc3nnc(C)n3n2)[nH]1.
What is the InChIKey of 5-methyl-2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-3-one?
The InChIKey is WEVMRTYXAXFTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O/c1-6-5-10(17)16(13-6)9-4-3-8-12-11-7(2)15(8)14-9/h3-5,13H,1-2H3.
What are the key properties of 5-methyl-2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-3-one?
5-methyl-2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-3-one has a molecular weight of 230.23 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 71685915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).