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

C18H18N6O2 — CID 118711405

IUPAC6-[(2,5-dimethoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc(OC)c(Cc2ccc3nnc(-c4cnn(C)c4)n3n2)c1
InChIInChI=1S/C18H18N6O2/c1-23-11-13(10-19-23)18-21-20-17-7-4-14(22-24(17)18)8-12-9-15(25-2)5-6-16(12)26-3/h4-7,9-11H,8H2,1-3H3
InChIKeyBBZXOXPQYOQLSM-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.13
Rot. Bonds5

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

6-[(2,5-dimethoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 118711405) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 6-[(2,5-dimethoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[(2,5-dimethoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID118711405
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name6-[(2,5-dimethoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc(OC)c(Cc2ccc3nnc(-c4cnn(C)c4)n3n2)c1
InChIInChI=1S/C18H18N6O2/c1-23-11-13(10-19-23)18-21-20-17-7-4-14(22-24(17)18)8-12-9-15(25-2)5-6-16(12)26-3/h4-7,9-11H,8H2,1-3H3
InChIKeyBBZXOXPQYOQLSM-UHFFFAOYSA-N
XLogP2.13
TPSA79.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[(2,5-dimethoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

Mak-683
CID 121412508
3-(4-Methoxy-3-Methylphenyl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 56835771
1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905153
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
Methyl substituted pyrazole, 28
CID 23648676
8-(4-Methoxyphenyl)-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59199121
4-(azetidin-1-yl)-5-[5-(4-methoxy-2-methylphenyl)-1-methyl-1H-pyrazol-4-yl]-7-methylimidazo[5,1-f][1,2,4]triazine
CID 68181883
4-(Azetidin-1-yl)-5-[5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-yl]-7-methylimidazo[5,1-f][1,2,4]triazine
CID 68181996
7-(4-Methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 4773323
5-(4-Methoxyphenyl)-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 70694813
7-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1480420

Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dimethoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[(2,5-dimethoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 118711405) is 6-[(2,5-dimethoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[(2,5-dimethoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[(2,5-dimethoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine is COc1ccc(OC)c(Cc2ccc3nnc(-c4cnn(C)c4)n3n2)c1.
What is the InChIKey of 6-[(2,5-dimethoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is BBZXOXPQYOQLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-23-11-13(10-19-23)18-21-20-17-7-4-14(22-24(17)18)8-12-9-15(25-2)5-6-16(12)26-3/h4-7,9-11H,8H2,1-3H3.
What are the key properties of 6-[(2,5-dimethoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-[(2,5-dimethoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 350.38 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-dimethoxyphenyl)methyl]-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 118711405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).