6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindazol-4-one

C13H14N4O — CID 103294189

IUPAC6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindazol-4-one
SMILESCC1(C)CC(=O)c2cnn(-c3cccnn3)c2C1
InChIInChI=1S/C13H14N4O/c1-13(2)6-10-9(11(18)7-13)8-15-17(10)12-4-3-5-14-16-12/h3-5,8H,6-7H2,1-2H3
InChIKeyNKGHAJKDNUNEHS-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.82
Rot. Bonds1

About 6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindazol-4-one

6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindazol-4-one (PubChem CID 103294189) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindazol-4-one.

Molecular Properties

Compound Name6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindazol-4-one
PubChem CID103294189
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindazol-4-one
SMILESCC1(C)CC(=O)c2cnn(-c3cccnn3)c2C1
InChIInChI=1S/C13H14N4O/c1-13(2)6-10-9(11(18)7-13)8-15-17(10)12-4-3-5-14-16-12/h3-5,8H,6-7H2,1-2H3
InChIKeyNKGHAJKDNUNEHS-UHFFFAOYSA-N
XLogP1.82
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindazol-4-one 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 6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindazol-4-one?
The IUPAC name of 6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindazol-4-one (CID 103294189) is 6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindazol-4-one.
What is the SMILES notation for 6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindazol-4-one?
The canonical SMILES for 6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindazol-4-one is CC1(C)CC(=O)c2cnn(-c3cccnn3)c2C1.
What is the InChIKey of 6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindazol-4-one?
The InChIKey is NKGHAJKDNUNEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-13(2)6-10-9(11(18)7-13)8-15-17(10)12-4-3-5-14-16-12/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindazol-4-one?
6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindazol-4-one has a molecular weight of 242.28 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindazol-4-one is sourced from PubChem (CID 103294189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).