azane;6-bromophthalazine

C8H8BrN3 — CID 87747021

IUPACazane;6-bromophthalazine
SMILESBrc1ccc2cnncc2c1.N
InChIInChI=1S/C8H5BrN2.H3N/c9-8-2-1-6-4-10-11-5-7(6)3-8;/h1-5H;1H3
InChIKeyCWAGRLITKDBJIJ-UHFFFAOYSA-N
MW226.08 g/mol
LogP2.55
Rot. Bonds

About azane;6-bromophthalazine

azane;6-bromophthalazine (PubChem CID 87747021) has the molecular formula C8H8BrN3 and a molecular weight of 226.08 g/mol. Its IUPAC name is azane;6-bromophthalazine.

Molecular Properties

Compound Nameazane;6-bromophthalazine
PubChem CID87747021
Molecular FormulaC8H8BrN3
Molecular Weight226.08 g/mol
Exact Mass224.99
IUPAC Nameazane;6-bromophthalazine
SMILESBrc1ccc2cnncc2c1.N
InChIInChI=1S/C8H5BrN2.H3N/c9-8-2-1-6-4-10-11-5-7(6)3-8;/h1-5H;1H3
InChIKeyCWAGRLITKDBJIJ-UHFFFAOYSA-N
XLogP2.55
TPSA60.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.08
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Phthalazine
CID 9207
6-Bromo-1-chlorophthalazine
CID 22030424
1-Bromophthalazine
CID 13126701
1,4-Dibromophthalazine
CID 59627392
6-Fluorophthalazine
CID 119084530
4-[(E)-2-(4-bromophenyl)ethenyl]pyridazine
CID 6327983
N-[(E)-(4-bromophenyl)methylideneamino]phthalazin-1-amine
CID 9639915
1-Iodophthalazine
CID 13126703
5-Bromophthalazine
CID 13649370
Phthalazine hydrochloride
CID 22712976
1'-Hydrazinophthalazine hydrochloride
CID 133064965
5-Fluorophthalazine
CID 13649369

Frequently Asked Questions

What is the IUPAC name of azane;6-bromophthalazine?
The IUPAC name of azane;6-bromophthalazine (CID 87747021) is azane;6-bromophthalazine.
What is the SMILES notation for azane;6-bromophthalazine?
The canonical SMILES for azane;6-bromophthalazine is Brc1ccc2cnncc2c1.N.
What is the InChIKey of azane;6-bromophthalazine?
The InChIKey is CWAGRLITKDBJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2.H3N/c9-8-2-1-6-4-10-11-5-7(6)3-8;/h1-5H;1H3.
What are the key properties of azane;6-bromophthalazine?
azane;6-bromophthalazine has a molecular weight of 226.08 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;6-bromophthalazine is sourced from PubChem (CID 87747021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).