(6-chloropyridazin-3-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

C17H19ClN4O — CID 110678435

IUPAC(6-chloropyridazin-3-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccc(Cl)nn3)CC2)c1C
InChIInChI=1S/C17H19ClN4O/c1-12-4-3-5-15(13(12)2)21-8-10-22(11-9-21)17(23)14-6-7-16(18)20-19-14/h3-7H,8-11H2,1-2H3
InChIKeyCGBFGMAVRKTAEW-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.71
Rot. Bonds2

About (6-chloropyridazin-3-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

(6-chloropyridazin-3-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone (PubChem CID 110678435) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is (6-chloropyridazin-3-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloropyridazin-3-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
PubChem CID110678435
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name(6-chloropyridazin-3-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccc(Cl)nn3)CC2)c1C
InChIInChI=1S/C17H19ClN4O/c1-12-4-3-5-15(13(12)2)21-8-10-22(11-9-21)17(23)14-6-7-16(18)20-19-14/h3-7H,8-11H2,1-2H3
InChIKeyCGBFGMAVRKTAEW-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,3-dimethylphenyl)piperazin-1-yl]-[6-(propan-2-ylamino)pyridazin-3-yl]methanone
CID 109109462
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 2712772
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[6-(3-methylbutylamino)pyridazin-3-yl]methanone
CID 109123993
(3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 26881725
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 110648961
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)pyridazin-3-yl]methanone
CID 109114134
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone
CID 110681721
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone
CID 155798999
3-chloro-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 62728459
(5,6-dichloro-3-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 2102498
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 51174933

Frequently Asked Questions

What is the IUPAC name of (6-chloropyridazin-3-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (6-chloropyridazin-3-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone (CID 110678435) is (6-chloropyridazin-3-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-chloropyridazin-3-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-chloropyridazin-3-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)c3ccc(Cl)nn3)CC2)c1C.
What is the InChIKey of (6-chloropyridazin-3-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The InChIKey is CGBFGMAVRKTAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c1-12-4-3-5-15(13(12)2)21-8-10-22(11-9-21)17(23)14-6-7-16(18)20-19-14/h3-7H,8-11H2,1-2H3.
What are the key properties of (6-chloropyridazin-3-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
(6-chloropyridazin-3-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone has a molecular weight of 330.82 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyridazin-3-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110678435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).