3-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazine

C15H17ClN4O — CID 6404196

IUPAC3-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazine
SMILESCOc1ccc(N2CCN(c3ccc(Cl)nn3)CC2)cc1
InChIInChI=1S/C15H17ClN4O/c1-21-13-4-2-12(3-5-13)19-8-10-20(11-9-19)15-7-6-14(16)17-18-15/h2-7H,8-11H2,1H3
InChIKeyKDEYQNFHALQZCT-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.47
Rot. Bonds3

About 3-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazine

3-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazine (PubChem CID 6404196) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazine
PubChem CID6404196
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name3-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazine
SMILESCOc1ccc(N2CCN(c3ccc(Cl)nn3)CC2)cc1
InChIInChI=1S/C15H17ClN4O/c1-21-13-4-2-12(3-5-13)19-8-10-20(11-9-19)15-7-6-14(16)17-18-15/h2-7H,8-11H2,1H3
InChIKeyKDEYQNFHALQZCT-UHFFFAOYSA-N
XLogP2.47
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazine?
The IUPAC name of 3-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazine (CID 6404196) is 3-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazine?
The canonical SMILES for 3-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazine is COc1ccc(N2CCN(c3ccc(Cl)nn3)CC2)cc1.
What is the InChIKey of 3-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazine?
The InChIKey is KDEYQNFHALQZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-21-13-4-2-12(3-5-13)19-8-10-20(11-9-19)15-7-6-14(16)17-18-15/h2-7H,8-11H2,1H3.
What are the key properties of 3-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazine?
3-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazine has a molecular weight of 304.78 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazine is sourced from PubChem (CID 6404196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).