1,4-bis(ethenyl)phthalazine

C12H10N2 — CID 90155802

IUPAC1,4-bis(ethenyl)phthalazine
SMILESC=Cc1nnc(C=C)c2ccccc12
InChIInChI=1S/C12H10N2/c1-3-11-9-7-5-6-8-10(9)12(4-2)14-13-11/h3-8H,1-2H2
InChIKeyRDOWWEFOVQIBQB-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.92
Rot. Bonds2

About 1,4-bis(ethenyl)phthalazine

1,4-bis(ethenyl)phthalazine (PubChem CID 90155802) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 1,4-bis(ethenyl)phthalazine.

Molecular Properties

Compound Name1,4-bis(ethenyl)phthalazine
PubChem CID90155802
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name1,4-bis(ethenyl)phthalazine
SMILESC=Cc1nnc(C=C)c2ccccc12
InChIInChI=1S/C12H10N2/c1-3-11-9-7-5-6-8-10(9)12(4-2)14-13-11/h3-8H,1-2H2
InChIKeyRDOWWEFOVQIBQB-UHFFFAOYSA-N
XLogP2.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(ethenyl)phthalazine?
The IUPAC name of 1,4-bis(ethenyl)phthalazine (CID 90155802) is 1,4-bis(ethenyl)phthalazine.
What is the SMILES notation for 1,4-bis(ethenyl)phthalazine?
The canonical SMILES for 1,4-bis(ethenyl)phthalazine is C=Cc1nnc(C=C)c2ccccc12.
What is the InChIKey of 1,4-bis(ethenyl)phthalazine?
The InChIKey is RDOWWEFOVQIBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-3-11-9-7-5-6-8-10(9)12(4-2)14-13-11/h3-8H,1-2H2.
What are the key properties of 1,4-bis(ethenyl)phthalazine?
1,4-bis(ethenyl)phthalazine has a molecular weight of 182.23 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(ethenyl)phthalazine is sourced from PubChem (CID 90155802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).