(2Z)-5-bromo-2-hydrazinylidene-4-methyl-3H-quinoxalin-1-amine

C9H12BrN5 — CID 164902643

IUPAC(2Z)-5-bromo-2-hydrazinylidene-4-methyl-3H-quinoxalin-1-amine
SMILESCN1C/C(=N/N)N(N)c2cccc(Br)c21
InChIInChI=1S/C9H12BrN5/c1-14-5-8(13-11)15(12)7-4-2-3-6(10)9(7)14/h2-4H,5,11-12H2,1H3/b13-8-
InChIKeyIDJYVXGFQRHYOC-JYRVWZFOSA-N
MW270.13 g/mol
LogP0.85
Rot. Bonds

About (2Z)-5-bromo-2-hydrazinylidene-4-methyl-3H-quinoxalin-1-amine

(2Z)-5-bromo-2-hydrazinylidene-4-methyl-3H-quinoxalin-1-amine (PubChem CID 164902643) has the molecular formula C9H12BrN5 and a molecular weight of 270.13 g/mol. Its IUPAC name is (2Z)-5-bromo-2-hydrazinylidene-4-methyl-3H-quinoxalin-1-amine.

Molecular Properties

Compound Name(2Z)-5-bromo-2-hydrazinylidene-4-methyl-3H-quinoxalin-1-amine
PubChem CID164902643
Molecular FormulaC9H12BrN5
Molecular Weight270.13 g/mol
Exact Mass269.03
IUPAC Name(2Z)-5-bromo-2-hydrazinylidene-4-methyl-3H-quinoxalin-1-amine
SMILESCN1C/C(=N/N)N(N)c2cccc(Br)c21
InChIInChI=1S/C9H12BrN5/c1-14-5-8(13-11)15(12)7-4-2-3-6(10)9(7)14/h2-4H,5,11-12H2,1H3/b13-8-
InChIKeyIDJYVXGFQRHYOC-JYRVWZFOSA-N
XLogP0.85
TPSA70.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-5-bromo-2-hydrazinylidene-4-methyl-3H-quinoxalin-1-amine?
The IUPAC name of (2Z)-5-bromo-2-hydrazinylidene-4-methyl-3H-quinoxalin-1-amine (CID 164902643) is (2Z)-5-bromo-2-hydrazinylidene-4-methyl-3H-quinoxalin-1-amine.
What is the SMILES notation for (2Z)-5-bromo-2-hydrazinylidene-4-methyl-3H-quinoxalin-1-amine?
The canonical SMILES for (2Z)-5-bromo-2-hydrazinylidene-4-methyl-3H-quinoxalin-1-amine is CN1C/C(=N/N)N(N)c2cccc(Br)c21.
What is the InChIKey of (2Z)-5-bromo-2-hydrazinylidene-4-methyl-3H-quinoxalin-1-amine?
The InChIKey is IDJYVXGFQRHYOC-JYRVWZFOSA-N. The full InChI is InChI=1S/C9H12BrN5/c1-14-5-8(13-11)15(12)7-4-2-3-6(10)9(7)14/h2-4H,5,11-12H2,1H3/b13-8-.
What are the key properties of (2Z)-5-bromo-2-hydrazinylidene-4-methyl-3H-quinoxalin-1-amine?
(2Z)-5-bromo-2-hydrazinylidene-4-methyl-3H-quinoxalin-1-amine has a molecular weight of 270.13 g/mol, XLogP of 0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-bromo-2-hydrazinylidene-4-methyl-3H-quinoxalin-1-amine is sourced from PubChem (CID 164902643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).