4-chloro-5-(diethylamino)-2-(3-methylphenyl)pyridazin-3-one

C15H18ClN3O — CID 24997707

IUPAC4-chloro-5-(diethylamino)-2-(3-methylphenyl)pyridazin-3-one
SMILESCCN(CC)c1cnn(-c2cccc(C)c2)c(=O)c1Cl
InChIInChI=1S/C15H18ClN3O/c1-4-18(5-2)13-10-17-19(15(20)14(13)16)12-8-6-7-11(3)9-12/h6-10H,4-5H2,1-3H3
InChIKeyHWSAKEZBWPLDSM-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.04
Rot. Bonds4

About 4-chloro-5-(diethylamino)-2-(3-methylphenyl)pyridazin-3-one

4-chloro-5-(diethylamino)-2-(3-methylphenyl)pyridazin-3-one (PubChem CID 24997707) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-chloro-5-(diethylamino)-2-(3-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(diethylamino)-2-(3-methylphenyl)pyridazin-3-one
PubChem CID24997707
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name4-chloro-5-(diethylamino)-2-(3-methylphenyl)pyridazin-3-one
SMILESCCN(CC)c1cnn(-c2cccc(C)c2)c(=O)c1Cl
InChIInChI=1S/C15H18ClN3O/c1-4-18(5-2)13-10-17-19(15(20)14(13)16)12-8-6-7-11(3)9-12/h6-10H,4-5H2,1-3H3
InChIKeyHWSAKEZBWPLDSM-UHFFFAOYSA-N
XLogP3.04
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-(N-ethyl-3-methylanilino)-2-phenylpyridazin-3-one
CID 50876167
4-chloro-5-methyl-2-(3-methylphenyl)pyridazin-3-one
CID 126527319
2-(benzenesulfonyl)-4-chloro-5-(diethylamino)pyridazin-3-one
CID 10991481
4,5-dichloro-2-(3-methylphenyl)pyridazin-3-one;4,5-diiodo-2-(3-methylphenyl)pyridazin-3-one;5-iodo-2-(3-methylphenyl)pyridazin-3-one
CID 161039142
5-bromo-4-(4-ethoxyphenoxy)-2-(3-methylphenyl)pyridazin-3-one
CID 71497272
4-chloro-5-[ethyl(thiophen-2-ylmethyl)amino]-2-(4-nitrophenyl)pyridazin-3-one
CID 133334512
ethyl 5-chloro-1-(3-methylphenyl)pyrazole-4-carboxylate
CID 21289675
2-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]-propylamino]acetic acid
CID 122051508
5-iodo-2-(3-methylphenyl)pyridazin-3-one
CID 24997710
4-chloro-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylpyridazin-3-one
CID 9195137
4-chloro-5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 26664762
5-ethyl-N,N-dimethyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 30837651

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(diethylamino)-2-(3-methylphenyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-(diethylamino)-2-(3-methylphenyl)pyridazin-3-one (CID 24997707) is 4-chloro-5-(diethylamino)-2-(3-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(diethylamino)-2-(3-methylphenyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-(diethylamino)-2-(3-methylphenyl)pyridazin-3-one is CCN(CC)c1cnn(-c2cccc(C)c2)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-(diethylamino)-2-(3-methylphenyl)pyridazin-3-one?
The InChIKey is HWSAKEZBWPLDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-4-18(5-2)13-10-17-19(15(20)14(13)16)12-8-6-7-11(3)9-12/h6-10H,4-5H2,1-3H3.
What are the key properties of 4-chloro-5-(diethylamino)-2-(3-methylphenyl)pyridazin-3-one?
4-chloro-5-(diethylamino)-2-(3-methylphenyl)pyridazin-3-one has a molecular weight of 291.78 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(diethylamino)-2-(3-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 24997707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).