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

C18H16F2N6O2 — CID 118711408

IUPAC6-[(2,5-dimethoxyphenyl)-difluoromethyl]-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc(OC)c(C(F)(F)c2ccc3nnc(-c4cnn(C)c4)n3n2)c1
InChIInChI=1S/C18H16F2N6O2/c1-25-10-11(9-21-25)17-23-22-16-7-6-15(24-26(16)17)18(19,20)13-8-12(27-2)4-5-14(13)28-3/h4-10H,1-3H3
InChIKeyPQCIJYJIWKAJIJ-UHFFFAOYSA-N
MW386.36 g/mol
LogP2.68
Rot. Bonds5

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

6-[(2,5-dimethoxyphenyl)-difluoromethyl]-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 118711408) has the molecular formula C18H16F2N6O2 and a molecular weight of 386.36 g/mol. Its IUPAC name is 6-[(2,5-dimethoxyphenyl)-difluoromethyl]-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[(2,5-dimethoxyphenyl)-difluoromethyl]-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID118711408
Molecular FormulaC18H16F2N6O2
Molecular Weight386.36 g/mol
Exact Mass386.13
IUPAC Name6-[(2,5-dimethoxyphenyl)-difluoromethyl]-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc(OC)c(C(F)(F)c2ccc3nnc(-c4cnn(C)c4)n3n2)c1
InChIInChI=1S/C18H16F2N6O2/c1-25-10-11(9-21-25)17-23-22-16-7-6-15(24-26(16)17)18(19,20)13-8-12(27-2)4-5-14(13)28-3/h4-10H,1-3H3
InChIKeyPQCIJYJIWKAJIJ-UHFFFAOYSA-N
XLogP2.68
TPSA79.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dimethoxyphenyl)-difluoromethyl]-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[(2,5-dimethoxyphenyl)-difluoromethyl]-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 118711408) is 6-[(2,5-dimethoxyphenyl)-difluoromethyl]-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[(2,5-dimethoxyphenyl)-difluoromethyl]-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[(2,5-dimethoxyphenyl)-difluoromethyl]-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine is COc1ccc(OC)c(C(F)(F)c2ccc3nnc(-c4cnn(C)c4)n3n2)c1.
What is the InChIKey of 6-[(2,5-dimethoxyphenyl)-difluoromethyl]-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is PQCIJYJIWKAJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N6O2/c1-25-10-11(9-21-25)17-23-22-16-7-6-15(24-26(16)17)18(19,20)13-8-12(27-2)4-5-14(13)28-3/h4-10H,1-3H3.
What are the key properties of 6-[(2,5-dimethoxyphenyl)-difluoromethyl]-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-[(2,5-dimethoxyphenyl)-difluoromethyl]-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 386.36 g/mol, XLogP of 2.68, 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)-difluoromethyl]-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 118711408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).