4-chloro-5-(cyclohexylamino)-2-prop-2-enylpyridazin-3-one

C13H18ClN3O — CID 114431194

IUPAC4-chloro-5-(cyclohexylamino)-2-prop-2-enylpyridazin-3-one
SMILESC=CCn1ncc(NC2CCCCC2)c(Cl)c1=O
InChIInChI=1S/C13H18ClN3O/c1-2-8-17-13(18)12(14)11(9-15-17)16-10-6-4-3-5-7-10/h2,9-10,16H,1,3-8H2
InChIKeyDZEYXENEYGDBSF-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.83
Rot. Bonds4

About 4-chloro-5-(cyclohexylamino)-2-prop-2-enylpyridazin-3-one

4-chloro-5-(cyclohexylamino)-2-prop-2-enylpyridazin-3-one (PubChem CID 114431194) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 4-chloro-5-(cyclohexylamino)-2-prop-2-enylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(cyclohexylamino)-2-prop-2-enylpyridazin-3-one
PubChem CID114431194
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name4-chloro-5-(cyclohexylamino)-2-prop-2-enylpyridazin-3-one
SMILESC=CCn1ncc(NC2CCCCC2)c(Cl)c1=O
InChIInChI=1S/C13H18ClN3O/c1-2-8-17-13(18)12(14)11(9-15-17)16-10-6-4-3-5-7-10/h2,9-10,16H,1,3-8H2
InChIKeyDZEYXENEYGDBSF-UHFFFAOYSA-N
XLogP2.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.83
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-[(3-hydroxycyclobutyl)amino]-2-prop-2-enylpyridazin-3-one
CID 114439723
4-chloro-2-prop-2-enyl-5-[(4-propylcyclohexyl)amino]pyridazin-3-one
CID 114435909
4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-prop-2-enylpyridazin-3-one
CID 114436316
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
4-chloro-5-[(2-oxopiperidin-3-yl)amino]-2-prop-2-enylpyridazin-3-one
CID 114436804
4-chloro-5-(cyclobutylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114437020
4-chloro-5-(cyclopentylamino)-2-methylpyridazin-3-one
CID 33286886
4-chloro-5-[[1-(hydroxymethyl)cyclohexyl]amino]-2-prop-2-enylpyridazin-3-one
CID 114437207
methyl 2-[5-chloro-4-(cyclobutylamino)-6-oxopyridazin-1-yl]acetate
CID 114437032
4-chloro-5-[(3-hydroxycyclohexyl)methylamino]-2-prop-2-enylpyridazin-3-one
CID 106136812
4-chloro-5-(cyclohexylamino)-2-propan-2-ylpyridazin-3-one
CID 114431188

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(cyclohexylamino)-2-prop-2-enylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(cyclohexylamino)-2-prop-2-enylpyridazin-3-one (CID 114431194) is 4-chloro-5-(cyclohexylamino)-2-prop-2-enylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(cyclohexylamino)-2-prop-2-enylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(cyclohexylamino)-2-prop-2-enylpyridazin-3-one is C=CCn1ncc(NC2CCCCC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-(cyclohexylamino)-2-prop-2-enylpyridazin-3-one?
The InChIKey is DZEYXENEYGDBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-2-8-17-13(18)12(14)11(9-15-17)16-10-6-4-3-5-7-10/h2,9-10,16H,1,3-8H2.
What are the key properties of 4-chloro-5-(cyclohexylamino)-2-prop-2-enylpyridazin-3-one?
4-chloro-5-(cyclohexylamino)-2-prop-2-enylpyridazin-3-one has a molecular weight of 267.76 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(cyclohexylamino)-2-prop-2-enylpyridazin-3-one is sourced from PubChem (CID 114431194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).