3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenylpyridazine

C21H22N4O — CID 648801

IUPAC3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenylpyridazine
SMILESCOc1ccccc1N1CCN(c2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C21H22N4O/c1-26-20-10-6-5-9-19(20)24-13-15-25(16-14-24)21-12-11-18(22-23-21)17-7-3-2-4-8-17/h2-12H,13-16H2,1H3
InChIKeyWSDSYENNNXQWGH-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.48
Rot. Bonds4

About 3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenylpyridazine

3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenylpyridazine (PubChem CID 648801) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenylpyridazine.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenylpyridazine
PubChem CID648801
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenylpyridazine
SMILESCOc1ccccc1N1CCN(c2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C21H22N4O/c1-26-20-10-6-5-9-19(20)24-13-15-25(16-14-24)21-12-11-18(22-23-21)17-7-3-2-4-8-17/h2-12H,13-16H2,1H3
InChIKeyWSDSYENNNXQWGH-UHFFFAOYSA-N
XLogP3.48
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenylpyridazine?
The IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenylpyridazine (CID 648801) is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenylpyridazine.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenylpyridazine?
The canonical SMILES for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenylpyridazine is COc1ccccc1N1CCN(c2ccc(-c3ccccc3)nn2)CC1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenylpyridazine?
The InChIKey is WSDSYENNNXQWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-26-20-10-6-5-9-19(20)24-13-15-25(16-14-24)21-12-11-18(22-23-21)17-7-3-2-4-8-17/h2-12H,13-16H2,1H3.
What are the key properties of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenylpyridazine?
3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenylpyridazine has a molecular weight of 346.43 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenylpyridazine is sourced from PubChem (CID 648801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).