2-(3-methylbutyl)-4-propylpyridazin-3-one

C12H20N2O — CID 141150691

IUPAC2-(3-methylbutyl)-4-propylpyridazin-3-one
SMILESCCCc1ccnn(CCC(C)C)c1=O
InChIInChI=1S/C12H20N2O/c1-4-5-11-6-8-13-14(12(11)15)9-7-10(2)3/h6,8,10H,4-5,7,9H2,1-3H3
InChIKeyRETIIYSGDBTMQK-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.24
Rot. Bonds5

About 2-(3-methylbutyl)-4-propylpyridazin-3-one

2-(3-methylbutyl)-4-propylpyridazin-3-one (PubChem CID 141150691) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(3-methylbutyl)-4-propylpyridazin-3-one.

Molecular Properties

Compound Name2-(3-methylbutyl)-4-propylpyridazin-3-one
PubChem CID141150691
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-(3-methylbutyl)-4-propylpyridazin-3-one
SMILESCCCc1ccnn(CCC(C)C)c1=O
InChIInChI=1S/C12H20N2O/c1-4-5-11-6-8-13-14(12(11)15)9-7-10(2)3/h6,8,10H,4-5,7,9H2,1-3H3
InChIKeyRETIIYSGDBTMQK-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

2-(2,2-Difluoroethyl)-4-propan-2-ylpyridazin-3-one
CID 178099321
4-Propan-2-yl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 178099526
6-Methyl-2,4-di(propan-2-yl)pyridazin-3-one
CID 15054347
2-Tert-butyl-4-propan-2-ylpyridazin-3-one
CID 59802706
2,4-Di(propan-2-yl)pyridazin-3-one
CID 60102693
4-(2,2-Dimethylpropyl)-2-methylpyridazin-3-one
CID 89562066
4-Ethyl-2-methylpyridazin-3-one
CID 89563038
2,4-Diethylpyridazin-3-one
CID 89749475
4-Ethyl-2-propan-2-ylpyridazin-3-one
CID 89887657
2,4-Diethyl-6-propylpyridazin-3-one;ethane
CID 90714417
2,4-Diethyl-6-propylpyridazin-3-one
CID 90714418
2-(4-Methylpentan-2-yl)-4-propan-2-ylpyridazin-3-one
CID 90726448

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)-4-propylpyridazin-3-one?
The IUPAC name of 2-(3-methylbutyl)-4-propylpyridazin-3-one (CID 141150691) is 2-(3-methylbutyl)-4-propylpyridazin-3-one.
What is the SMILES notation for 2-(3-methylbutyl)-4-propylpyridazin-3-one?
The canonical SMILES for 2-(3-methylbutyl)-4-propylpyridazin-3-one is CCCc1ccnn(CCC(C)C)c1=O.
What is the InChIKey of 2-(3-methylbutyl)-4-propylpyridazin-3-one?
The InChIKey is RETIIYSGDBTMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-5-11-6-8-13-14(12(11)15)9-7-10(2)3/h6,8,10H,4-5,7,9H2,1-3H3.
What are the key properties of 2-(3-methylbutyl)-4-propylpyridazin-3-one?
2-(3-methylbutyl)-4-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)-4-propylpyridazin-3-one is sourced from PubChem (CID 141150691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).