4-chloro-5-(1-cyclohexylethylamino)-2-ethylpyridazin-3-one

C14H22ClN3O — CID 114437060

IUPAC4-chloro-5-(1-cyclohexylethylamino)-2-ethylpyridazin-3-one
SMILESCCn1ncc(NC(C)C2CCCCC2)c(Cl)c1=O
InChIInChI=1S/C14H22ClN3O/c1-3-18-14(19)13(15)12(9-16-18)17-10(2)11-7-5-4-6-8-11/h9-11,17H,3-8H2,1-2H3
InChIKeyBMBIPXIALCVBGW-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.30
Rot. Bonds4

About 4-chloro-5-(1-cyclohexylethylamino)-2-ethylpyridazin-3-one

4-chloro-5-(1-cyclohexylethylamino)-2-ethylpyridazin-3-one (PubChem CID 114437060) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 4-chloro-5-(1-cyclohexylethylamino)-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(1-cyclohexylethylamino)-2-ethylpyridazin-3-one
PubChem CID114437060
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name4-chloro-5-(1-cyclohexylethylamino)-2-ethylpyridazin-3-one
SMILESCCn1ncc(NC(C)C2CCCCC2)c(Cl)c1=O
InChIInChI=1S/C14H22ClN3O/c1-3-18-14(19)13(15)12(9-16-18)17-10(2)11-7-5-4-6-8-11/h9-11,17H,3-8H2,1-2H3
InChIKeyBMBIPXIALCVBGW-UHFFFAOYSA-N
XLogP3.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-(1-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114438468
4-chloro-5-(1-cyclobutylethylamino)-2-propylpyridazin-3-one
CID 114443047
2-benzyl-4-chloro-5-(1-cyclobutylethylamino)pyridazin-3-one
CID 133417909
4-chloro-5-(1-cyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114433340
4-chloro-2-ethyl-5-(1-hydroxypropan-2-ylamino)pyridazin-3-one
CID 114433216
4-bromo-5-(1-cyclopentylethylamino)-2-propylpyridazin-3-one
CID 114438460
5-[(2-aminocycloheptyl)amino]-4-chloro-2-ethylpyridazin-3-one
CID 114444887
5-[(2-amino-1-cyclopentylethyl)amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one
CID 106738332
4-chloro-2-ethyl-5-(thian-4-ylamino)pyridazin-3-one
CID 114443011
2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]propanamide
CID 114433471
4-chloro-2-ethyl-5-(oxolan-3-ylamino)pyridazin-3-one
CID 114440472
4-chloro-2-ethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one
CID 121476463

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(1-cyclohexylethylamino)-2-ethylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(1-cyclohexylethylamino)-2-ethylpyridazin-3-one (CID 114437060) is 4-chloro-5-(1-cyclohexylethylamino)-2-ethylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(1-cyclohexylethylamino)-2-ethylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(1-cyclohexylethylamino)-2-ethylpyridazin-3-one is CCn1ncc(NC(C)C2CCCCC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-(1-cyclohexylethylamino)-2-ethylpyridazin-3-one?
The InChIKey is BMBIPXIALCVBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-3-18-14(19)13(15)12(9-16-18)17-10(2)11-7-5-4-6-8-11/h9-11,17H,3-8H2,1-2H3.
What are the key properties of 4-chloro-5-(1-cyclohexylethylamino)-2-ethylpyridazin-3-one?
4-chloro-5-(1-cyclohexylethylamino)-2-ethylpyridazin-3-one has a molecular weight of 283.80 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(1-cyclohexylethylamino)-2-ethylpyridazin-3-one is sourced from PubChem (CID 114437060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).