6-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-phenylpyridazin-4-one

C23H24N4O2 — CID 27049012

IUPAC6-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-phenylpyridazin-4-one
SMILESCc1cccc(N2CCN(C(=O)c3nn(-c4ccccc4)c(C)cc3=O)CC2)c1
InChIInChI=1S/C23H24N4O2/c1-17-7-6-10-20(15-17)25-11-13-26(14-12-25)23(29)22-21(28)16-18(2)27(24-22)19-8-4-3-5-9-19/h3-10,15-16H,11-14H2,1-2H3
InChIKeyYUCMWXMVWWGZKI-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.81
Rot. Bonds3

About 6-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-phenylpyridazin-4-one

6-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-phenylpyridazin-4-one (PubChem CID 27049012) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 6-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-phenylpyridazin-4-one.

Molecular Properties

Compound Name6-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-phenylpyridazin-4-one
PubChem CID27049012
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name6-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-phenylpyridazin-4-one
SMILESCc1cccc(N2CCN(C(=O)c3nn(-c4ccccc4)c(C)cc3=O)CC2)c1
InChIInChI=1S/C23H24N4O2/c1-17-7-6-10-20(15-17)25-11-13-26(14-12-25)23(29)22-21(28)16-18(2)27(24-22)19-8-4-3-5-9-19/h3-10,15-16H,11-14H2,1-2H3
InChIKeyYUCMWXMVWWGZKI-UHFFFAOYSA-N
XLogP2.81
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one
CID 8967321
3-(azepane-1-carbonyl)-6-methyl-1-phenylpyridazin-4-one
CID 8869762
[4-(3-methylphenyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 27049072
3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one
CID 35611514
3-[4-(4-acetylphenyl)piperazine-1-carbonyl]-1-(4-chlorophenyl)-6-methylpyridazin-4-one
CID 27674642
3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one
CID 8548127
3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-6-methyl-1-phenylpyridazin-4-one
CID 97067476
3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-6-methyl-1-phenylpyridazin-4-one;hydrochloride
CID 120655604
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 16599689
3-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one
CID 9092841
6-methyl-1-phenyl-3-[(2S)-2-phenylmorpholine-4-carbonyl]pyridazin-4-one
CID 35266981

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-phenylpyridazin-4-one?
The IUPAC name of 6-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-phenylpyridazin-4-one (CID 27049012) is 6-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-phenylpyridazin-4-one.
What is the SMILES notation for 6-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-phenylpyridazin-4-one?
The canonical SMILES for 6-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-phenylpyridazin-4-one is Cc1cccc(N2CCN(C(=O)c3nn(-c4ccccc4)c(C)cc3=O)CC2)c1.
What is the InChIKey of 6-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-phenylpyridazin-4-one?
The InChIKey is YUCMWXMVWWGZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-17-7-6-10-20(15-17)25-11-13-26(14-12-25)23(29)22-21(28)16-18(2)27(24-22)19-8-4-3-5-9-19/h3-10,15-16H,11-14H2,1-2H3.
What are the key properties of 6-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-phenylpyridazin-4-one?
6-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-phenylpyridazin-4-one has a molecular weight of 388.47 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-phenylpyridazin-4-one is sourced from PubChem (CID 27049012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).