3-(2-methylindazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine

C17H14N8S — CID 56650915

IUPAC3-(2-methylindazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1cc(-c2ccc3nnc(Sc4ccc5nn(C)cc5c4)n3n2)cn1
InChIInChI=1S/C17H14N8S/c1-23-10-12(8-18-23)15-5-6-16-19-20-17(25(16)22-15)26-13-3-4-14-11(7-13)9-24(2)21-14/h3-10H,1-2H3
InChIKeyJYXHZDNTBJUJNH-UHFFFAOYSA-N
MW362.42 g/mol
LogP2.56
Rot. Bonds3

About 3-(2-methylindazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine

3-(2-methylindazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 56650915) has the molecular formula C17H14N8S and a molecular weight of 362.42 g/mol. Its IUPAC name is 3-(2-methylindazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(2-methylindazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID56650915
Molecular FormulaC17H14N8S
Molecular Weight362.42 g/mol
Exact Mass362.11
IUPAC Name3-(2-methylindazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1cc(-c2ccc3nnc(Sc4ccc5nn(C)cc5c4)n3n2)cn1
InChIInChI=1S/C17H14N8S/c1-23-10-12(8-18-23)15-5-6-16-19-20-17(25(16)22-15)26-13-3-4-14-11(7-13)9-24(2)21-14/h3-10H,1-2H3
InChIKeyJYXHZDNTBJUJNH-UHFFFAOYSA-N
XLogP2.56
TPSA78.72 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylindazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(2-methylindazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 56650915) is 3-(2-methylindazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(2-methylindazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(2-methylindazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine is Cn1cc(-c2ccc3nnc(Sc4ccc5nn(C)cc5c4)n3n2)cn1.
What is the InChIKey of 3-(2-methylindazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is JYXHZDNTBJUJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N8S/c1-23-10-12(8-18-23)15-5-6-16-19-20-17(25(16)22-15)26-13-3-4-14-11(7-13)9-24(2)21-14/h3-10H,1-2H3.
What are the key properties of 3-(2-methylindazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
3-(2-methylindazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 362.42 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylindazol-5-yl)sulfanyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 56650915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).