1-[1-(7-bromoquinoxalin-2-yl)ethenyl]-2-methylhydrazine;ethane

C13H17BrN4 — CID 171087007

IUPAC1-[1-(7-bromoquinoxalin-2-yl)ethenyl]-2-methylhydrazine;ethane
SMILESC=C(NNC)c1cnc2ccc(Br)cc2n1.CC
InChIInChI=1S/C11H11BrN4.C2H6/c1-7(16-13-2)11-6-14-9-4-3-8(12)5-10(9)15-11;1-2/h3-6,13,16H,1H2,2H3;1-2H3
InChIKeyUNAVIGYQJYRRFD-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.11
Rot. Bonds3

About 1-[1-(7-bromoquinoxalin-2-yl)ethenyl]-2-methylhydrazine;ethane

1-[1-(7-bromoquinoxalin-2-yl)ethenyl]-2-methylhydrazine;ethane (PubChem CID 171087007) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is 1-[1-(7-bromoquinoxalin-2-yl)ethenyl]-2-methylhydrazine;ethane.

Molecular Properties

Compound Name1-[1-(7-bromoquinoxalin-2-yl)ethenyl]-2-methylhydrazine;ethane
PubChem CID171087007
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name1-[1-(7-bromoquinoxalin-2-yl)ethenyl]-2-methylhydrazine;ethane
SMILESC=C(NNC)c1cnc2ccc(Br)cc2n1.CC
InChIInChI=1S/C11H11BrN4.C2H6/c1-7(16-13-2)11-6-14-9-4-3-8(12)5-10(9)15-11;1-2/h3-6,13,16H,1H2,2H3;1-2H3
InChIKeyUNAVIGYQJYRRFD-UHFFFAOYSA-N
XLogP3.11
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-2-prop-1-en-2-ylquinoxaline
CID 67476107
2,7-dibromoquinoxaline
CID 827486
7-bromo-2-(2-methoxyethoxy)quinoxaline
CID 66664870
7-bromo-N-methylquinazolin-2-amine
CID 118107797
N-[(7-bromoquinoxalin-2-yl)methyl]oxane-4-carboxamide
CID 156694037
azane;7-bromo-2-chloroquinoxaline;7-bromoquinoxalin-2-amine;methane;hydrate
CID 160876314
7-bromo-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinoxaline
CID 170694150
7-bromo-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]quinoxalin-2-amine
CID 166400280
6-bromo-2-chloroquinazoline;ethane
CID 143712376
methyl 2-[4-bromo-2-methyl-N-(quinoxaline-2-carbonyl)anilino]propanoate
CID 119040111
4-(7-bromoquinoxalin-2-yl)oxy-2-chlorophenol
CID 70477859
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]quinoxaline-2-carboxamide
CID 43962050

Frequently Asked Questions

What is the IUPAC name of 1-[1-(7-bromoquinoxalin-2-yl)ethenyl]-2-methylhydrazine;ethane?
The IUPAC name of 1-[1-(7-bromoquinoxalin-2-yl)ethenyl]-2-methylhydrazine;ethane (CID 171087007) is 1-[1-(7-bromoquinoxalin-2-yl)ethenyl]-2-methylhydrazine;ethane.
What is the SMILES notation for 1-[1-(7-bromoquinoxalin-2-yl)ethenyl]-2-methylhydrazine;ethane?
The canonical SMILES for 1-[1-(7-bromoquinoxalin-2-yl)ethenyl]-2-methylhydrazine;ethane is C=C(NNC)c1cnc2ccc(Br)cc2n1.CC.
What is the InChIKey of 1-[1-(7-bromoquinoxalin-2-yl)ethenyl]-2-methylhydrazine;ethane?
The InChIKey is UNAVIGYQJYRRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4.C2H6/c1-7(16-13-2)11-6-14-9-4-3-8(12)5-10(9)15-11;1-2/h3-6,13,16H,1H2,2H3;1-2H3.
What are the key properties of 1-[1-(7-bromoquinoxalin-2-yl)ethenyl]-2-methylhydrazine;ethane?
1-[1-(7-bromoquinoxalin-2-yl)ethenyl]-2-methylhydrazine;ethane has a molecular weight of 309.21 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(7-bromoquinoxalin-2-yl)ethenyl]-2-methylhydrazine;ethane is sourced from PubChem (CID 171087007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).