1-chloro-4-[(Z)-2-(1-methylpyrrol-2-yl)ethenyl]phthalazine

C15H12ClN3 — CID 102398882

IUPAC1-chloro-4-[(Z)-2-(1-methylpyrrol-2-yl)ethenyl]phthalazine
SMILESCn1cccc1/C=C\c1nnc(Cl)c2ccccc12
InChIInChI=1S/C15H12ClN3/c1-19-10-4-5-11(19)8-9-14-12-6-2-3-7-13(12)15(16)18-17-14/h2-10H,1H3/b9-8-
InChIKeyHUMBNNNGBSBMJM-HJWRWDBZSA-N
MW269.74 g/mol
LogP3.79
Rot. Bonds2

About 1-chloro-4-[(Z)-2-(1-methylpyrrol-2-yl)ethenyl]phthalazine

1-chloro-4-[(Z)-2-(1-methylpyrrol-2-yl)ethenyl]phthalazine (PubChem CID 102398882) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 1-chloro-4-[(Z)-2-(1-methylpyrrol-2-yl)ethenyl]phthalazine.

Molecular Properties

Compound Name1-chloro-4-[(Z)-2-(1-methylpyrrol-2-yl)ethenyl]phthalazine
PubChem CID102398882
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name1-chloro-4-[(Z)-2-(1-methylpyrrol-2-yl)ethenyl]phthalazine
SMILESCn1cccc1/C=C\c1nnc(Cl)c2ccccc12
InChIInChI=1S/C15H12ClN3/c1-19-10-4-5-11(19)8-9-14-12-6-2-3-7-13(12)15(16)18-17-14/h2-10H,1H3/b9-8-
InChIKeyHUMBNNNGBSBMJM-HJWRWDBZSA-N
XLogP3.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(Z)-2-(1-methylpyrrol-2-yl)ethenyl]phthalazine?
The IUPAC name of 1-chloro-4-[(Z)-2-(1-methylpyrrol-2-yl)ethenyl]phthalazine (CID 102398882) is 1-chloro-4-[(Z)-2-(1-methylpyrrol-2-yl)ethenyl]phthalazine.
What is the SMILES notation for 1-chloro-4-[(Z)-2-(1-methylpyrrol-2-yl)ethenyl]phthalazine?
The canonical SMILES for 1-chloro-4-[(Z)-2-(1-methylpyrrol-2-yl)ethenyl]phthalazine is Cn1cccc1/C=C\c1nnc(Cl)c2ccccc12.
What is the InChIKey of 1-chloro-4-[(Z)-2-(1-methylpyrrol-2-yl)ethenyl]phthalazine?
The InChIKey is HUMBNNNGBSBMJM-HJWRWDBZSA-N. The full InChI is InChI=1S/C15H12ClN3/c1-19-10-4-5-11(19)8-9-14-12-6-2-3-7-13(12)15(16)18-17-14/h2-10H,1H3/b9-8-.
What are the key properties of 1-chloro-4-[(Z)-2-(1-methylpyrrol-2-yl)ethenyl]phthalazine?
1-chloro-4-[(Z)-2-(1-methylpyrrol-2-yl)ethenyl]phthalazine has a molecular weight of 269.74 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(Z)-2-(1-methylpyrrol-2-yl)ethenyl]phthalazine is sourced from PubChem (CID 102398882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).