5-bromo-N-cyclohex-3-en-1-ylpyrazin-2-amine

C10H12BrN3 — CID 130540607

IUPAC5-bromo-N-cyclohex-3-en-1-ylpyrazin-2-amine
SMILESBrc1cnc(NC2CC=CCC2)cn1
InChIInChI=1S/C10H12BrN3/c11-9-6-13-10(7-12-9)14-8-4-2-1-3-5-8/h1-2,6-8H,3-5H2,(H,13,14)
InChIKeyIUWGSDLHGXDCLA-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.76
Rot. Bonds2

About 5-bromo-N-cyclohex-3-en-1-ylpyrazin-2-amine

5-bromo-N-cyclohex-3-en-1-ylpyrazin-2-amine (PubChem CID 130540607) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 5-bromo-N-cyclohex-3-en-1-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-bromo-N-cyclohex-3-en-1-ylpyrazin-2-amine
PubChem CID130540607
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name5-bromo-N-cyclohex-3-en-1-ylpyrazin-2-amine
SMILESBrc1cnc(NC2CC=CCC2)cn1
InChIInChI=1S/C10H12BrN3/c11-9-6-13-10(7-12-9)14-8-4-2-1-3-5-8/h1-2,6-8H,3-5H2,(H,13,14)
InChIKeyIUWGSDLHGXDCLA-UHFFFAOYSA-N
XLogP2.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-bromo-N-cyclohex-3-en-1-ylpyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-cyclohex-3-en-1-yl-4-methylpyridine-2,5-diamine
CID 79176344
5-bromo-N-(1,4-dioxepan-6-yl)pyrazin-2-amine
CID 131086158
5-bromo-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine
CID 131154421
3-bromo-5-chloro-N-cyclohex-3-en-1-ylpyridin-2-amine
CID 114835973
5-bromo-N-cyclohex-3-en-1-yl-4-methylpyrimidin-2-amine
CID 130900359
N-cyclohex-3-en-1-yl-5-iodopyrimidin-2-amine
CID 104843859
N-cyclohex-3-en-1-yl-4-methyl-5-nitropyridin-2-amine
CID 79177090
6-(cyclohex-3-en-1-ylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 133322671
N-cyclohex-3-en-1-ylpyrido[2,3-b]pyrazin-6-amine
CID 78995474
2-N-cyclohex-3-en-1-yl-1,3-thiazole-2,5-diamine
CID 102768646
N-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine
CID 66331048
N-cyclohex-3-en-1-yl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133322670

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclohex-3-en-1-ylpyrazin-2-amine?
The IUPAC name of 5-bromo-N-cyclohex-3-en-1-ylpyrazin-2-amine (CID 130540607) is 5-bromo-N-cyclohex-3-en-1-ylpyrazin-2-amine.
What is the SMILES notation for 5-bromo-N-cyclohex-3-en-1-ylpyrazin-2-amine?
The canonical SMILES for 5-bromo-N-cyclohex-3-en-1-ylpyrazin-2-amine is Brc1cnc(NC2CC=CCC2)cn1.
What is the InChIKey of 5-bromo-N-cyclohex-3-en-1-ylpyrazin-2-amine?
The InChIKey is IUWGSDLHGXDCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c11-9-6-13-10(7-12-9)14-8-4-2-1-3-5-8/h1-2,6-8H,3-5H2,(H,13,14).
What are the key properties of 5-bromo-N-cyclohex-3-en-1-ylpyrazin-2-amine?
5-bromo-N-cyclohex-3-en-1-ylpyrazin-2-amine has a molecular weight of 254.13 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclohex-3-en-1-ylpyrazin-2-amine is sourced from PubChem (CID 130540607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).