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

C10H10N6O — CID 6401013

IUPAC6-(3,5-dimethylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc3n[nH]c(=O)n3n2)n1
InChIInChI=1S/C10H10N6O/c1-6-5-7(2)15(13-6)9-4-3-8-11-12-10(17)16(8)14-9/h3-5H,1-2H3,(H,12,17)
InChIKeyPNJCRJNHFYMTNO-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.22
Rot. Bonds1

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

6-(3,5-dimethylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 6401013) has the molecular formula C10H10N6O and a molecular weight of 230.23 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID6401013
Molecular FormulaC10H10N6O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc3n[nH]c(=O)n3n2)n1
InChIInChI=1S/C10H10N6O/c1-6-5-7(2)15(13-6)9-4-3-8-11-12-10(17)16(8)14-9/h3-5H,1-2H3,(H,12,17)
InChIKeyPNJCRJNHFYMTNO-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 6-(3,5-dimethylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 6401013) is 6-(3,5-dimethylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is Cc1cc(C)n(-c2ccc3n[nH]c(=O)n3n2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is PNJCRJNHFYMTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O/c1-6-5-7(2)15(13-6)9-4-3-8-11-12-10(17)16(8)14-9/h3-5H,1-2H3,(H,12,17).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(3,5-dimethylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-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 6-(3,5-dimethylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 6401013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).