2-(4-methyl-1H-pyrazolo[3,4-c]pyridazin-5-yl)phenol

C12H10N4O — CID 171826738

IUPAC2-(4-methyl-1H-pyrazolo[3,4-c]pyridazin-5-yl)phenol
SMILESCc1c(-c2ccccc2O)nnc2[nH]ncc12
InChIInChI=1S/C12H10N4O/c1-7-9-6-13-15-12(9)16-14-11(7)8-4-2-3-5-10(8)17/h2-6,17H,1H3,(H,13,15,16)
InChIKeyONSCDTWOQWIDJA-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.03
Rot. Bonds1

About 2-(4-methyl-1H-pyrazolo[3,4-c]pyridazin-5-yl)phenol

2-(4-methyl-1H-pyrazolo[3,4-c]pyridazin-5-yl)phenol (PubChem CID 171826738) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-(4-methyl-1H-pyrazolo[3,4-c]pyridazin-5-yl)phenol.

Molecular Properties

Compound Name2-(4-methyl-1H-pyrazolo[3,4-c]pyridazin-5-yl)phenol
PubChem CID171826738
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name2-(4-methyl-1H-pyrazolo[3,4-c]pyridazin-5-yl)phenol
SMILESCc1c(-c2ccccc2O)nnc2[nH]ncc12
InChIInChI=1S/C12H10N4O/c1-7-9-6-13-15-12(9)16-14-11(7)8-4-2-3-5-10(8)17/h2-6,17H,1H3,(H,13,15,16)
InChIKeyONSCDTWOQWIDJA-UHFFFAOYSA-N
XLogP2.03
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-methyl-1H-pyrazolo[3,4-c]pyridazin-5-yl)phenol 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 2-(4-methyl-1H-pyrazolo[3,4-c]pyridazin-5-yl)phenol?
The IUPAC name of 2-(4-methyl-1H-pyrazolo[3,4-c]pyridazin-5-yl)phenol (CID 171826738) is 2-(4-methyl-1H-pyrazolo[3,4-c]pyridazin-5-yl)phenol.
What is the SMILES notation for 2-(4-methyl-1H-pyrazolo[3,4-c]pyridazin-5-yl)phenol?
The canonical SMILES for 2-(4-methyl-1H-pyrazolo[3,4-c]pyridazin-5-yl)phenol is Cc1c(-c2ccccc2O)nnc2[nH]ncc12.
What is the InChIKey of 2-(4-methyl-1H-pyrazolo[3,4-c]pyridazin-5-yl)phenol?
The InChIKey is ONSCDTWOQWIDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-7-9-6-13-15-12(9)16-14-11(7)8-4-2-3-5-10(8)17/h2-6,17H,1H3,(H,13,15,16).
What are the key properties of 2-(4-methyl-1H-pyrazolo[3,4-c]pyridazin-5-yl)phenol?
2-(4-methyl-1H-pyrazolo[3,4-c]pyridazin-5-yl)phenol has a molecular weight of 226.24 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1H-pyrazolo[3,4-c]pyridazin-5-yl)phenol is sourced from PubChem (CID 171826738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).