2-(3-methylbutyl)-6-propylpyridazin-3-one

C12H20N2O — CID 142690980

IUPAC2-(3-methylbutyl)-6-propylpyridazin-3-one
SMILESCCCc1ccc(=O)n(CCC(C)C)n1
InChIInChI=1S/C12H20N2O/c1-4-5-11-6-7-12(15)14(13-11)9-8-10(2)3/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyQCBQVPRIXPVDEF-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.24
Rot. Bonds5

About 2-(3-methylbutyl)-6-propylpyridazin-3-one

2-(3-methylbutyl)-6-propylpyridazin-3-one (PubChem CID 142690980) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(3-methylbutyl)-6-propylpyridazin-3-one.

Molecular Properties

Compound Name2-(3-methylbutyl)-6-propylpyridazin-3-one
PubChem CID142690980
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-(3-methylbutyl)-6-propylpyridazin-3-one
SMILESCCCc1ccc(=O)n(CCC(C)C)n1
InChIInChI=1S/C12H20N2O/c1-4-5-11-6-7-12(15)14(13-11)9-8-10(2)3/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyQCBQVPRIXPVDEF-UHFFFAOYSA-N
XLogP2.24
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3,5-Dimethylpiperidine-1-carbonyl)-2-propylpyridazin-3-one
CID 42910131
N,N-bis(3-methylbutyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 52564125
2-(1-Fluoroethyl)-6-propan-2-ylpyridazin-3-one
CID 170175302
2-(2,2-Difluoroethyl)-6-propan-2-ylpyridazin-3-one
CID 176725895
6-Methyl-2,4-di(propan-2-yl)pyridazin-3-one
CID 15054347
6-Cyclopropyl-2-pentyl-4-(trifluoromethyl)pyridazin-3-one
CID 75404364
6-Cyclopropyl-2-(2,2,2-trifluoroethyl)-2,3-dihydropyridazin-3-one
CID 126857342
2-(2-Fluorobutyl)-6-methylpyridazin-3-one
CID 130683490
2-[(2S)-2-amino-3-methylbutyl]-6-cyclopropylpyridazin-3-one
CID 25802815
2-[(2R)-2-amino-3-methylbutyl]-6-cyclopropylpyridazin-3-one
CID 25802979
2-(1-Acetylpiperidin-4-yl)-6-cyclopropylpyridazin-3-one
CID 92549020
6-Cyclopropyl-2-(1-propanoylpiperidin-4-yl)pyridazin-3-one
CID 126468177

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)-6-propylpyridazin-3-one?
The IUPAC name of 2-(3-methylbutyl)-6-propylpyridazin-3-one (CID 142690980) is 2-(3-methylbutyl)-6-propylpyridazin-3-one.
What is the SMILES notation for 2-(3-methylbutyl)-6-propylpyridazin-3-one?
The canonical SMILES for 2-(3-methylbutyl)-6-propylpyridazin-3-one is CCCc1ccc(=O)n(CCC(C)C)n1.
What is the InChIKey of 2-(3-methylbutyl)-6-propylpyridazin-3-one?
The InChIKey is QCBQVPRIXPVDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-5-11-6-7-12(15)14(13-11)9-8-10(2)3/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of 2-(3-methylbutyl)-6-propylpyridazin-3-one?
2-(3-methylbutyl)-6-propylpyridazin-3-one has a molecular weight of 208.30 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-6-propylpyridazin-3-one is sourced from PubChem (CID 142690980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).