4-chloro-2-prop-2-enyl-5-[(4-propylcyclohexyl)amino]pyridazin-3-one

C16H24ClN3O — CID 114435909

IUPAC4-chloro-2-prop-2-enyl-5-[(4-propylcyclohexyl)amino]pyridazin-3-one
SMILESC=CCn1ncc(NC2CCC(CCC)CC2)c(Cl)c1=O
InChIInChI=1S/C16H24ClN3O/c1-3-5-12-6-8-13(9-7-12)19-14-11-18-20(10-4-2)16(21)15(14)17/h4,11-13,19H,2-3,5-10H2,1H3
InChIKeyOWXATZMBVJGMOK-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.85
Rot. Bonds6

About 4-chloro-2-prop-2-enyl-5-[(4-propylcyclohexyl)amino]pyridazin-3-one

4-chloro-2-prop-2-enyl-5-[(4-propylcyclohexyl)amino]pyridazin-3-one (PubChem CID 114435909) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 4-chloro-2-prop-2-enyl-5-[(4-propylcyclohexyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-prop-2-enyl-5-[(4-propylcyclohexyl)amino]pyridazin-3-one
PubChem CID114435909
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name4-chloro-2-prop-2-enyl-5-[(4-propylcyclohexyl)amino]pyridazin-3-one
SMILESC=CCn1ncc(NC2CCC(CCC)CC2)c(Cl)c1=O
InChIInChI=1S/C16H24ClN3O/c1-3-5-12-6-8-13(9-7-12)19-14-11-18-20(10-4-2)16(21)15(14)17/h4,11-13,19H,2-3,5-10H2,1H3
InChIKeyOWXATZMBVJGMOK-UHFFFAOYSA-N
XLogP3.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-chloro-5-(cyclohexylamino)-2-prop-2-enylpyridazin-3-one
CID 114431194
4-chloro-5-[(3-hydroxycyclobutyl)amino]-2-prop-2-enylpyridazin-3-one
CID 114439723
4-chloro-2-ethyl-5-[(4-ethylcyclohexyl)amino]pyridazin-3-one
CID 114435432
4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-prop-2-enylpyridazin-3-one
CID 114436316
4-chloro-5-(2-methylpentan-2-ylamino)-2-prop-2-enylpyridazin-3-one
CID 114442133
4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-prop-2-enylpyridazin-3-one
CID 114436226
5-[[2-(aminomethyl)cyclopentyl]amino]-4-chloro-2-prop-2-enylpyridazin-3-one
CID 114445881
4-bromo-5-(cyclobutylamino)-2-prop-2-enylpyridazin-3-one
CID 114437022
5-[3-(aminomethyl)pentan-3-ylamino]-4-chloro-2-prop-2-enylpyridazin-3-one
CID 114445292
4-chloro-2-ethyl-5-(thian-4-ylamino)pyridazin-3-one
CID 114443011
4-chloro-5-[(2-oxopiperidin-3-yl)amino]-2-prop-2-enylpyridazin-3-one
CID 114436804
4-chloro-5-[2-(3-methylcyclohexyl)ethylamino]-2-prop-2-enylpyridazin-3-one
CID 114438509

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-prop-2-enyl-5-[(4-propylcyclohexyl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-prop-2-enyl-5-[(4-propylcyclohexyl)amino]pyridazin-3-one (CID 114435909) is 4-chloro-2-prop-2-enyl-5-[(4-propylcyclohexyl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-prop-2-enyl-5-[(4-propylcyclohexyl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-prop-2-enyl-5-[(4-propylcyclohexyl)amino]pyridazin-3-one is C=CCn1ncc(NC2CCC(CCC)CC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-prop-2-enyl-5-[(4-propylcyclohexyl)amino]pyridazin-3-one?
The InChIKey is OWXATZMBVJGMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-3-5-12-6-8-13(9-7-12)19-14-11-18-20(10-4-2)16(21)15(14)17/h4,11-13,19H,2-3,5-10H2,1H3.
What are the key properties of 4-chloro-2-prop-2-enyl-5-[(4-propylcyclohexyl)amino]pyridazin-3-one?
4-chloro-2-prop-2-enyl-5-[(4-propylcyclohexyl)amino]pyridazin-3-one has a molecular weight of 309.84 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-prop-2-enyl-5-[(4-propylcyclohexyl)amino]pyridazin-3-one is sourced from PubChem (CID 114435909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).