5-cyclopentyl-3-propan-2-yl-1H-pyridazin-6-one

C12H18N2O — CID 155637483

IUPAC5-cyclopentyl-3-propan-2-yl-1H-pyridazin-6-one
SMILESCC(C)c1cc(C2CCCC2)c(=O)[nH]n1
InChIInChI=1S/C12H18N2O/c1-8(2)11-7-10(12(15)14-13-11)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,14,15)
InChIKeyILFRDCBWJUJJAX-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.55
Rot. Bonds2

About 5-cyclopentyl-3-propan-2-yl-1H-pyridazin-6-one

5-cyclopentyl-3-propan-2-yl-1H-pyridazin-6-one (PubChem CID 155637483) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-cyclopentyl-3-propan-2-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-cyclopentyl-3-propan-2-yl-1H-pyridazin-6-one
PubChem CID155637483
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name5-cyclopentyl-3-propan-2-yl-1H-pyridazin-6-one
SMILESCC(C)c1cc(C2CCCC2)c(=O)[nH]n1
InChIInChI=1S/C12H18N2O/c1-8(2)11-7-10(12(15)14-13-11)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,14,15)
InChIKeyILFRDCBWJUJJAX-UHFFFAOYSA-N
XLogP2.55
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4E)-4-(cyclohex-3-en-1-ylmethylidene)-3-methyl-1H-pyrazol-5-one
CID 6391620
5-[1-(3,3-difluorocyclobutyl)ethyl]-3-propan-2-yl-1H-pyridazin-6-one
CID 155276788
5-[1-(3,3-difluorocyclobutyl)ethyl]-3-ethyl-1H-pyridazin-6-one
CID 166843522
3-cyclohexyl-5-methyl-1H-pyridazin-6-one
CID 13374840
(4Z)-4-[(E)-4-methylpent-2-enylidene]-3-propyl-1H-pyrazol-5-one
CID 59887976
4-Propan-2-yl-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-1-one
CID 134286605
4-propan-2-yl-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 134286606
ethane;(5E)-4-methyl-3-(2-oxopropyl)-5-[(Z)-pent-2-enylidene]-1,4-dihydropyridazin-6-one
CID 141930787
3-[(2E,4Z)-2,5-dimethylhepta-2,4,6-trienyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 142842094
ethane;3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-(3-methylbutyl)-1H-pyridazin-6-one
CID 143573124
5-cyclobutyl-3-propan-2-yl-1H-pyridazin-6-one
CID 155276761
5-(3,3-dimethylcyclobutyl)-3-propan-2-yl-1H-pyridazin-6-one
CID 155276762

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-propan-2-yl-1H-pyridazin-6-one?
The IUPAC name of 5-cyclopentyl-3-propan-2-yl-1H-pyridazin-6-one (CID 155637483) is 5-cyclopentyl-3-propan-2-yl-1H-pyridazin-6-one.
What is the SMILES notation for 5-cyclopentyl-3-propan-2-yl-1H-pyridazin-6-one?
The canonical SMILES for 5-cyclopentyl-3-propan-2-yl-1H-pyridazin-6-one is CC(C)c1cc(C2CCCC2)c(=O)[nH]n1.
What is the InChIKey of 5-cyclopentyl-3-propan-2-yl-1H-pyridazin-6-one?
The InChIKey is ILFRDCBWJUJJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8(2)11-7-10(12(15)14-13-11)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 5-cyclopentyl-3-propan-2-yl-1H-pyridazin-6-one?
5-cyclopentyl-3-propan-2-yl-1H-pyridazin-6-one has a molecular weight of 206.29 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-propan-2-yl-1H-pyridazin-6-one is sourced from PubChem (CID 155637483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).