2-butylpyridazin-3-one;hydrochloride

C8H13ClN2O — CID 141096012

IUPAC2-butylpyridazin-3-one;hydrochloride
SMILESCCCCn1ncccc1=O.Cl
InChIInChI=1S/C8H12N2O.ClH/c1-2-3-7-10-8(11)5-4-6-9-10;/h4-6H,2-3,7H2,1H3;1H
InChIKeyWZDDVNQXDJKGPA-UHFFFAOYSA-N
MW188.66 g/mol
LogP1.47
Rot. Bonds3

About 2-butylpyridazin-3-one;hydrochloride

2-butylpyridazin-3-one;hydrochloride (PubChem CID 141096012) has the molecular formula C8H13ClN2O and a molecular weight of 188.66 g/mol. Its IUPAC name is 2-butylpyridazin-3-one;hydrochloride.

Molecular Properties

Compound Name2-butylpyridazin-3-one;hydrochloride
PubChem CID141096012
Molecular FormulaC8H13ClN2O
Molecular Weight188.66 g/mol
Exact Mass188.07
IUPAC Name2-butylpyridazin-3-one;hydrochloride
SMILESCCCCn1ncccc1=O.Cl
InChIInChI=1S/C8H12N2O.ClH/c1-2-3-7-10-8(11)5-4-6-9-10;/h4-6H,2-3,7H2,1H3;1H
InChIKeyWZDDVNQXDJKGPA-UHFFFAOYSA-N
XLogP1.47
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 51.47
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
6-Oxo-1(6H)-pyridazinepropanenitrile
CID 566024
2-(2-Fluorobutyl)pyridazin-3-one
CID 130621297
2-Butylpyridazin-3-one
CID 12758395
2-Methyl-3-(6-oxopyridazin-1-yl)propanenitrile
CID 12787609
2-(3-Chloropropyl)pyridazin-3-one
CID 14343581
2-(Propan-2-yl)-2,3-dihydropyridazin-3-one
CID 19915066
2-Ethylpyridazin-3-one
CID 21479093

Frequently Asked Questions

What is the IUPAC name of 2-butylpyridazin-3-one;hydrochloride?
The IUPAC name of 2-butylpyridazin-3-one;hydrochloride (CID 141096012) is 2-butylpyridazin-3-one;hydrochloride.
What is the SMILES notation for 2-butylpyridazin-3-one;hydrochloride?
The canonical SMILES for 2-butylpyridazin-3-one;hydrochloride is CCCCn1ncccc1=O.Cl.
What is the InChIKey of 2-butylpyridazin-3-one;hydrochloride?
The InChIKey is WZDDVNQXDJKGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.ClH/c1-2-3-7-10-8(11)5-4-6-9-10;/h4-6H,2-3,7H2,1H3;1H.
What are the key properties of 2-butylpyridazin-3-one;hydrochloride?
2-butylpyridazin-3-one;hydrochloride has a molecular weight of 188.66 g/mol, XLogP of 1.47, 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;hydrochloride is sourced from PubChem (CID 141096012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).