1,4-dibromo-5,6,7,8-tetrahydrophthalazine

C8H8Br2N2 — CID 155592786

IUPAC1,4-dibromo-5,6,7,8-tetrahydrophthalazine
SMILESBrc1nnc(Br)c2c1CCCC2
InChIInChI=1S/C8H8Br2N2/c9-7-5-3-1-2-4-6(5)8(10)12-11-7/h1-4H2
InChIKeyOEAWDVVVOKSSSZ-UHFFFAOYSA-N
MW291.97 g/mol
LogP2.88
Rot. Bonds

About 1,4-dibromo-5,6,7,8-tetrahydrophthalazine

1,4-dibromo-5,6,7,8-tetrahydrophthalazine (PubChem CID 155592786) has the molecular formula C8H8Br2N2 and a molecular weight of 291.97 g/mol. Its IUPAC name is 1,4-dibromo-5,6,7,8-tetrahydrophthalazine.

Molecular Properties

Compound Name1,4-dibromo-5,6,7,8-tetrahydrophthalazine
PubChem CID155592786
Molecular FormulaC8H8Br2N2
Molecular Weight291.97 g/mol
Exact Mass289.91
IUPAC Name1,4-dibromo-5,6,7,8-tetrahydrophthalazine
SMILESBrc1nnc(Br)c2c1CCCC2
InChIInChI=1S/C8H8Br2N2/c9-7-5-3-1-2-4-6(5)8(10)12-11-7/h1-4H2
InChIKeyOEAWDVVVOKSSSZ-UHFFFAOYSA-N
XLogP2.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.97
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Bromo-5,6,7,8-tetrahydrophthalazin-1-amine
CID 155592252

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-5,6,7,8-tetrahydrophthalazine?
The IUPAC name of 1,4-dibromo-5,6,7,8-tetrahydrophthalazine (CID 155592786) is 1,4-dibromo-5,6,7,8-tetrahydrophthalazine.
What is the SMILES notation for 1,4-dibromo-5,6,7,8-tetrahydrophthalazine?
The canonical SMILES for 1,4-dibromo-5,6,7,8-tetrahydrophthalazine is Brc1nnc(Br)c2c1CCCC2.
What is the InChIKey of 1,4-dibromo-5,6,7,8-tetrahydrophthalazine?
The InChIKey is OEAWDVVVOKSSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2N2/c9-7-5-3-1-2-4-6(5)8(10)12-11-7/h1-4H2.
What are the key properties of 1,4-dibromo-5,6,7,8-tetrahydrophthalazine?
1,4-dibromo-5,6,7,8-tetrahydrophthalazine has a molecular weight of 291.97 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-5,6,7,8-tetrahydrophthalazine is sourced from PubChem (CID 155592786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).