6-bromo-N-phenylphthalazin-1-amine

C14H10BrN3 — CID 23537138

IUPAC6-bromo-N-phenylphthalazin-1-amine
SMILESBrc1ccc2c(Nc3ccccc3)nncc2c1
InChIInChI=1S/C14H10BrN3/c15-11-6-7-13-10(8-11)9-16-18-14(13)17-12-4-2-1-3-5-12/h1-9H,(H,17,18)
InChIKeyQSJDJQFQPIUTJY-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.14
Rot. Bonds2

About 6-bromo-N-phenylphthalazin-1-amine

6-bromo-N-phenylphthalazin-1-amine (PubChem CID 23537138) has the molecular formula C14H10BrN3 and a molecular weight of 300.16 g/mol. Its IUPAC name is 6-bromo-N-phenylphthalazin-1-amine.

Molecular Properties

Compound Name6-bromo-N-phenylphthalazin-1-amine
PubChem CID23537138
Molecular FormulaC14H10BrN3
Molecular Weight300.16 g/mol
Exact Mass299.01
IUPAC Name6-bromo-N-phenylphthalazin-1-amine
SMILESBrc1ccc2c(Nc3ccccc3)nncc2c1
InChIInChI=1S/C14H10BrN3/c15-11-6-7-13-10(8-11)9-16-18-14(13)17-12-4-2-1-3-5-12/h1-9H,(H,17,18)
InChIKeyQSJDJQFQPIUTJY-UHFFFAOYSA-N
XLogP4.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-phenylphthalazin-1-amine?
The IUPAC name of 6-bromo-N-phenylphthalazin-1-amine (CID 23537138) is 6-bromo-N-phenylphthalazin-1-amine.
What is the SMILES notation for 6-bromo-N-phenylphthalazin-1-amine?
The canonical SMILES for 6-bromo-N-phenylphthalazin-1-amine is Brc1ccc2c(Nc3ccccc3)nncc2c1.
What is the InChIKey of 6-bromo-N-phenylphthalazin-1-amine?
The InChIKey is QSJDJQFQPIUTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3/c15-11-6-7-13-10(8-11)9-16-18-14(13)17-12-4-2-1-3-5-12/h1-9H,(H,17,18).
What are the key properties of 6-bromo-N-phenylphthalazin-1-amine?
6-bromo-N-phenylphthalazin-1-amine has a molecular weight of 300.16 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-phenylphthalazin-1-amine is sourced from PubChem (CID 23537138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).