1,4,6-tribromophthalazine

C8H3Br3N2 — CID 162731871

IUPAC1,4,6-tribromophthalazine
SMILESBrc1ccc2c(Br)nnc(Br)c2c1
InChIInChI=1S/C8H3Br3N2/c9-4-1-2-5-6(3-4)8(11)13-12-7(5)10/h1-3H
InChIKeyBHCMBAQZAWALPH-UHFFFAOYSA-N
MW366.84 g/mol
LogP3.92
Rot. Bonds

About 1,4,6-tribromophthalazine

1,4,6-tribromophthalazine (PubChem CID 162731871) has the molecular formula C8H3Br3N2 and a molecular weight of 366.84 g/mol. Its IUPAC name is 1,4,6-tribromophthalazine.

Molecular Properties

Compound Name1,4,6-tribromophthalazine
PubChem CID162731871
Molecular FormulaC8H3Br3N2
Molecular Weight366.84 g/mol
Exact Mass363.78
IUPAC Name1,4,6-tribromophthalazine
SMILESBrc1ccc2c(Br)nnc(Br)c2c1
InChIInChI=1S/C8H3Br3N2/c9-4-1-2-5-6(3-4)8(11)13-12-7(5)10/h1-3H
InChIKeyBHCMBAQZAWALPH-UHFFFAOYSA-N
XLogP3.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.84
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,9-dibromobenzo[h]cinnoline
CID 141348925
(3,6-dibromo-10-phosphanylphenanthren-9-yl)phosphane
CID 89338350
6-bromo-1,2,3,4-tetrafluoronaphthalene
CID 59658286
5-bromo-3-iodo-2H-indazole
CID 23156224
5-bromo-3-(fluoromethyl)-2H-indazole
CID 84692330
3,6-dibromobenzo[b]triphenylene
CID 155269401
2,7,11-tribromophenanthro[9,10-b]quinoxaline
CID 162716062
5-bromo-3-fluoro-2H-indazole
CID 66793399
6-bromoisoquinoline-1,4-diamine
CID 84700564
10-bromophenanthro[9,10-b]pyrazine
CID 58224572
3,6-dibromo-1-methylindazole
CID 76846072
2,6-dibromoanthracene-9,10-dicarboxylic acid
CID 141473473

Frequently Asked Questions

What is the IUPAC name of 1,4,6-tribromophthalazine?
The IUPAC name of 1,4,6-tribromophthalazine (CID 162731871) is 1,4,6-tribromophthalazine.
What is the SMILES notation for 1,4,6-tribromophthalazine?
The canonical SMILES for 1,4,6-tribromophthalazine is Brc1ccc2c(Br)nnc(Br)c2c1.
What is the InChIKey of 1,4,6-tribromophthalazine?
The InChIKey is BHCMBAQZAWALPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Br3N2/c9-4-1-2-5-6(3-4)8(11)13-12-7(5)10/h1-3H.
What are the key properties of 1,4,6-tribromophthalazine?
1,4,6-tribromophthalazine has a molecular weight of 366.84 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-tribromophthalazine is sourced from PubChem (CID 162731871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).