3-(2-methylpropyl)-4H-pyridazin-5-one

C8H12N2O — CID 55268429

IUPAC3-(2-methylpropyl)-4H-pyridazin-5-one
SMILESCC(C)CC1=NN=CC(=O)C1
InChIInChI=1S/C8H12N2O/c1-6(2)3-7-4-8(11)5-9-10-7/h5-6H,3-4H2,1-2H3
InChIKeyHSKSYFXSBFLIKN-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.43
Rot. Bonds2

About 3-(2-methylpropyl)-4H-pyridazin-5-one

3-(2-methylpropyl)-4H-pyridazin-5-one (PubChem CID 55268429) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-(2-methylpropyl)-4H-pyridazin-5-one.

Molecular Properties

Compound Name3-(2-methylpropyl)-4H-pyridazin-5-one
PubChem CID55268429
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-(2-methylpropyl)-4H-pyridazin-5-one
SMILESCC(C)CC1=NN=CC(=O)C1
InChIInChI=1S/C8H12N2O/c1-6(2)3-7-4-8(11)5-9-10-7/h5-6H,3-4H2,1-2H3
InChIKeyHSKSYFXSBFLIKN-UHFFFAOYSA-N
XLogP1.43
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-4H-pyridazin-5-one?
The IUPAC name of 3-(2-methylpropyl)-4H-pyridazin-5-one (CID 55268429) is 3-(2-methylpropyl)-4H-pyridazin-5-one.
What is the SMILES notation for 3-(2-methylpropyl)-4H-pyridazin-5-one?
The canonical SMILES for 3-(2-methylpropyl)-4H-pyridazin-5-one is CC(C)CC1=NN=CC(=O)C1.
What is the InChIKey of 3-(2-methylpropyl)-4H-pyridazin-5-one?
The InChIKey is HSKSYFXSBFLIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6(2)3-7-4-8(11)5-9-10-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-4H-pyridazin-5-one?
3-(2-methylpropyl)-4H-pyridazin-5-one has a molecular weight of 152.20 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-4H-pyridazin-5-one is sourced from PubChem (CID 55268429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).