4-(2-methylpropyl)-1H-pyridazin-6-one

C8H12N2O — CID 55269830

IUPAC4-(2-methylpropyl)-1H-pyridazin-6-one
SMILESCC(C)Cc1cn[nH]c(=O)c1
InChIInChI=1S/C8H12N2O/c1-6(2)3-7-4-8(11)10-9-5-7/h4-6H,3H2,1-2H3,(H,10,11)
InChIKeyKPEDTNTYFLTJOV-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.97
Rot. Bonds2

About 4-(2-methylpropyl)-1H-pyridazin-6-one

4-(2-methylpropyl)-1H-pyridazin-6-one (PubChem CID 55269830) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-(2-methylpropyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(2-methylpropyl)-1H-pyridazin-6-one
PubChem CID55269830
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name4-(2-methylpropyl)-1H-pyridazin-6-one
SMILESCC(C)Cc1cn[nH]c(=O)c1
InChIInChI=1S/C8H12N2O/c1-6(2)3-7-4-8(11)10-9-5-7/h4-6H,3H2,1-2H3,(H,10,11)
InChIKeyKPEDTNTYFLTJOV-UHFFFAOYSA-N
XLogP0.97
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-methylpropyl)-1H-pyridazin-6-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 4-(2-methylpropyl)-1H-pyridazin-6-one?
The IUPAC name of 4-(2-methylpropyl)-1H-pyridazin-6-one (CID 55269830) is 4-(2-methylpropyl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(2-methylpropyl)-1H-pyridazin-6-one?
The canonical SMILES for 4-(2-methylpropyl)-1H-pyridazin-6-one is CC(C)Cc1cn[nH]c(=O)c1.
What is the InChIKey of 4-(2-methylpropyl)-1H-pyridazin-6-one?
The InChIKey is KPEDTNTYFLTJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6(2)3-7-4-8(11)10-9-5-7/h4-6H,3H2,1-2H3,(H,10,11).
What are the key properties of 4-(2-methylpropyl)-1H-pyridazin-6-one?
4-(2-methylpropyl)-1H-pyridazin-6-one has a molecular weight of 152.20 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-1H-pyridazin-6-one is sourced from PubChem (CID 55269830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).