2-(cyclopropylmethyl)-7-propan-2-yl-5H-pyrazolo[3,4-d]pyridazin-4-one

C12H16N4O — CID 168980041

IUPAC2-(cyclopropylmethyl)-7-propan-2-yl-5H-pyrazolo[3,4-d]pyridazin-4-one
SMILESCC(C)c1n[nH]c(=O)c2cn(CC3CC3)nc12
InChIInChI=1S/C12H16N4O/c1-7(2)10-11-9(12(17)14-13-10)6-16(15-11)5-8-3-4-8/h6-8H,3-5H2,1-2H3,(H,14,17)
InChIKeyXYALDFQISVXYNX-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.65
Rot. Bonds3

About 2-(cyclopropylmethyl)-7-propan-2-yl-5H-pyrazolo[3,4-d]pyridazin-4-one

2-(cyclopropylmethyl)-7-propan-2-yl-5H-pyrazolo[3,4-d]pyridazin-4-one (PubChem CID 168980041) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-7-propan-2-yl-5H-pyrazolo[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-7-propan-2-yl-5H-pyrazolo[3,4-d]pyridazin-4-one
PubChem CID168980041
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-(cyclopropylmethyl)-7-propan-2-yl-5H-pyrazolo[3,4-d]pyridazin-4-one
SMILESCC(C)c1n[nH]c(=O)c2cn(CC3CC3)nc12
InChIInChI=1S/C12H16N4O/c1-7(2)10-11-9(12(17)14-13-10)6-16(15-11)5-8-3-4-8/h6-8H,3-5H2,1-2H3,(H,14,17)
InChIKeyXYALDFQISVXYNX-UHFFFAOYSA-N
XLogP1.65
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(cyclopropylmethyl)-7-propan-2-yl-5H-pyrazolo[3,4-d]pyridazin-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 2-(cyclopropylmethyl)-7-propan-2-yl-5H-pyrazolo[3,4-d]pyridazin-4-one?
The IUPAC name of 2-(cyclopropylmethyl)-7-propan-2-yl-5H-pyrazolo[3,4-d]pyridazin-4-one (CID 168980041) is 2-(cyclopropylmethyl)-7-propan-2-yl-5H-pyrazolo[3,4-d]pyridazin-4-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-7-propan-2-yl-5H-pyrazolo[3,4-d]pyridazin-4-one?
The canonical SMILES for 2-(cyclopropylmethyl)-7-propan-2-yl-5H-pyrazolo[3,4-d]pyridazin-4-one is CC(C)c1n[nH]c(=O)c2cn(CC3CC3)nc12.
What is the InChIKey of 2-(cyclopropylmethyl)-7-propan-2-yl-5H-pyrazolo[3,4-d]pyridazin-4-one?
The InChIKey is XYALDFQISVXYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-7(2)10-11-9(12(17)14-13-10)6-16(15-11)5-8-3-4-8/h6-8H,3-5H2,1-2H3,(H,14,17).
What are the key properties of 2-(cyclopropylmethyl)-7-propan-2-yl-5H-pyrazolo[3,4-d]pyridazin-4-one?
2-(cyclopropylmethyl)-7-propan-2-yl-5H-pyrazolo[3,4-d]pyridazin-4-one has a molecular weight of 232.29 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-7-propan-2-yl-5H-pyrazolo[3,4-d]pyridazin-4-one is sourced from PubChem (CID 168980041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).