3,6-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]-4-phenylpyridazine

C24H22N4 — CID 71455665

IUPAC3,6-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]-4-phenylpyridazine
SMILESCn1cccc1/C=C/c1cc(-c2ccccc2)c(/C=C/c2cccn2C)nn1
InChIInChI=1S/C24H22N4/c1-27-16-6-10-21(27)13-12-20-18-23(19-8-4-3-5-9-19)24(26-25-20)15-14-22-11-7-17-28(22)2/h3-18H,1-2H3/b13-12+,15-14+
InChIKeyRREMHAOEYOLRNJ-SQIWNDBBSA-N
MW366.47 g/mol
LogP5.16
Rot. Bonds5

About 3,6-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]-4-phenylpyridazine

3,6-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]-4-phenylpyridazine (PubChem CID 71455665) has the molecular formula C24H22N4 and a molecular weight of 366.47 g/mol. Its IUPAC name is 3,6-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]-4-phenylpyridazine.

Molecular Properties

Compound Name3,6-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]-4-phenylpyridazine
PubChem CID71455665
Molecular FormulaC24H22N4
Molecular Weight366.47 g/mol
Exact Mass366.18
IUPAC Name3,6-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]-4-phenylpyridazine
SMILESCn1cccc1/C=C/c1cc(-c2ccccc2)c(/C=C/c2cccn2C)nn1
InChIInChI=1S/C24H22N4/c1-27-16-6-10-21(27)13-12-20-18-23(19-8-4-3-5-9-19)24(26-25-20)15-14-22-11-7-17-28(22)2/h3-18H,1-2H3/b13-12+,15-14+
InChIKeyRREMHAOEYOLRNJ-SQIWNDBBSA-N
XLogP5.16
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]-4-phenylpyridazine?
The IUPAC name of 3,6-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]-4-phenylpyridazine (CID 71455665) is 3,6-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]-4-phenylpyridazine.
What is the SMILES notation for 3,6-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]-4-phenylpyridazine?
The canonical SMILES for 3,6-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]-4-phenylpyridazine is Cn1cccc1/C=C/c1cc(-c2ccccc2)c(/C=C/c2cccn2C)nn1.
What is the InChIKey of 3,6-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]-4-phenylpyridazine?
The InChIKey is RREMHAOEYOLRNJ-SQIWNDBBSA-N. The full InChI is InChI=1S/C24H22N4/c1-27-16-6-10-21(27)13-12-20-18-23(19-8-4-3-5-9-19)24(26-25-20)15-14-22-11-7-17-28(22)2/h3-18H,1-2H3/b13-12+,15-14+.
What are the key properties of 3,6-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]-4-phenylpyridazine?
3,6-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]-4-phenylpyridazine has a molecular weight of 366.47 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]-4-phenylpyridazine is sourced from PubChem (CID 71455665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).