(4-chlorophenyl)-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone

C16H17ClN4O — CID 46912172

IUPAC(4-chlorophenyl)-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nn1
InChIInChI=1S/C16H17ClN4O/c1-12-2-7-15(19-18-12)20-8-10-21(11-9-20)16(22)13-3-5-14(17)6-4-13/h2-7H,8-11H2,1H3
InChIKeyZHAVYFAVZGNTON-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.40
Rot. Bonds2

About (4-chlorophenyl)-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone

(4-chlorophenyl)-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 46912172) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID46912172
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name(4-chlorophenyl)-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nn1
InChIInChI=1S/C16H17ClN4O/c1-12-2-7-15(19-18-12)20-8-10-21(11-9-20)16(22)13-3-5-14(17)6-4-13/h2-7H,8-11H2,1H3
InChIKeyZHAVYFAVZGNTON-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone (CID 46912172) is (4-chlorophenyl)-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone is Cc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nn1.
What is the InChIKey of (4-chlorophenyl)-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is ZHAVYFAVZGNTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c1-12-2-7-15(19-18-12)20-8-10-21(11-9-20)16(22)13-3-5-14(17)6-4-13/h2-7H,8-11H2,1H3.
What are the key properties of (4-chlorophenyl)-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone?
(4-chlorophenyl)-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 316.79 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 46912172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).