2-butylpyridazin-3-one

C8H12N2O — CID 12758395

IUPAC2-butylpyridazin-3-one
SMILESCCCCn1ncccc1=O
InChIInChI=1S/C8H12N2O/c1-2-3-7-10-8(11)5-4-6-9-10/h4-6H,2-3,7H2,1H3
InChIKeyKDLXPLSXTAGTFT-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.04
Rot. Bonds3

About 2-butylpyridazin-3-one

2-butylpyridazin-3-one (PubChem CID 12758395) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-butylpyridazin-3-one.

Molecular Properties

Compound Name2-butylpyridazin-3-one
PubChem CID12758395
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-butylpyridazin-3-one
SMILESCCCCn1ncccc1=O
InChIInChI=1S/C8H12N2O/c1-2-3-7-10-8(11)5-4-6-9-10/h4-6H,2-3,7H2,1H3
InChIKeyKDLXPLSXTAGTFT-UHFFFAOYSA-N
XLogP1.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methylpyridazin-3(2H)-one
CID 12200169
2-t-Butyl-2h-pyridazin-3-one
CID 12778309
3(2H)-Pyridazinone, 2-(2-propenyl)-
CID 12237248
2-(4,4,4-Trifluorobutyl)pyridazin-3-one
CID 144132334
2-(2-Fluoroethyl)pyridazin-3-one
CID 173672755
2-(3,3-Difluorocyclobutyl)pyridazin-3-one
CID 175957563
6-Oxo-1(6H)-pyridazinepropanenitrile
CID 566024
2-(2-Fluorobutyl)pyridazin-3-one
CID 130621297
2-(3-Fluorobutyl)-5-methylpyridazin-3-one
CID 131183205
2-Methyl-3-(6-oxopyridazin-1-yl)propanenitrile
CID 12787609
2-(Propan-2-yl)-2,3-dihydropyridazin-3-one
CID 19915066
2,4-Dimethylpyridazin-3(2H)-one
CID 20772174

Frequently Asked Questions

What is the IUPAC name of 2-butylpyridazin-3-one?
The IUPAC name of 2-butylpyridazin-3-one (CID 12758395) is 2-butylpyridazin-3-one.
What is the SMILES notation for 2-butylpyridazin-3-one?
The canonical SMILES for 2-butylpyridazin-3-one is CCCCn1ncccc1=O.
What is the InChIKey of 2-butylpyridazin-3-one?
The InChIKey is KDLXPLSXTAGTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-3-7-10-8(11)5-4-6-9-10/h4-6H,2-3,7H2,1H3.
What are the key properties of 2-butylpyridazin-3-one?
2-butylpyridazin-3-one has a molecular weight of 152.20 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylpyridazin-3-one is sourced from PubChem (CID 12758395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).