1-[(Z)-1-aminoprop-1-en-2-yl]-5-bromo-2H-pyrazin-3-amine

C7H11BrN4 — CID 142817066

IUPAC1-[(Z)-1-aminoprop-1-en-2-yl]-5-bromo-2H-pyrazin-3-amine
SMILESC/C(=C/N)N1C=C(Br)N=C(N)C1
InChIInChI=1S/C7H11BrN4/c1-5(2-9)12-3-6(8)11-7(10)4-12/h2-3H,4,9H2,1H3,(H2,10,11)/b5-2-
InChIKeyGKCRQLNLEHKHSL-DJWKRKHSSA-N
MW231.10 g/mol
LogP0.67
Rot. Bonds1

About 1-[(Z)-1-aminoprop-1-en-2-yl]-5-bromo-2H-pyrazin-3-amine

1-[(Z)-1-aminoprop-1-en-2-yl]-5-bromo-2H-pyrazin-3-amine (PubChem CID 142817066) has the molecular formula C7H11BrN4 and a molecular weight of 231.10 g/mol. Its IUPAC name is 1-[(Z)-1-aminoprop-1-en-2-yl]-5-bromo-2H-pyrazin-3-amine.

Molecular Properties

Compound Name1-[(Z)-1-aminoprop-1-en-2-yl]-5-bromo-2H-pyrazin-3-amine
PubChem CID142817066
Molecular FormulaC7H11BrN4
Molecular Weight231.10 g/mol
Exact Mass230.02
IUPAC Name1-[(Z)-1-aminoprop-1-en-2-yl]-5-bromo-2H-pyrazin-3-amine
SMILESC/C(=C/N)N1C=C(Br)N=C(N)C1
InChIInChI=1S/C7H11BrN4/c1-5(2-9)12-3-6(8)11-7(10)4-12/h2-3H,4,9H2,1H3,(H2,10,11)/b5-2-
InChIKeyGKCRQLNLEHKHSL-DJWKRKHSSA-N
XLogP0.67
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.10
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-Amino-4,6-dimethylpyrazine
CID 54502378
6-Bromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazin-8-amine
CID 138576345
6-Bromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazin-8-amine;ethane
CID 142562211
N'-[(E)-2-[2-(dimethylamino)ethyl-methylamino]prop-1-enyl]ethanimidamide
CID 144709725
ethane;N'-[(E)-2-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]ethanimidamide
CID 145267739
N'-[(E)-2-[methyl-[2-(methylamino)ethyl]amino]prop-1-enyl]ethanimidamide
CID 145267740

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-aminoprop-1-en-2-yl]-5-bromo-2H-pyrazin-3-amine?
The IUPAC name of 1-[(Z)-1-aminoprop-1-en-2-yl]-5-bromo-2H-pyrazin-3-amine (CID 142817066) is 1-[(Z)-1-aminoprop-1-en-2-yl]-5-bromo-2H-pyrazin-3-amine.
What is the SMILES notation for 1-[(Z)-1-aminoprop-1-en-2-yl]-5-bromo-2H-pyrazin-3-amine?
The canonical SMILES for 1-[(Z)-1-aminoprop-1-en-2-yl]-5-bromo-2H-pyrazin-3-amine is C/C(=C/N)N1C=C(Br)N=C(N)C1.
What is the InChIKey of 1-[(Z)-1-aminoprop-1-en-2-yl]-5-bromo-2H-pyrazin-3-amine?
The InChIKey is GKCRQLNLEHKHSL-DJWKRKHSSA-N. The full InChI is InChI=1S/C7H11BrN4/c1-5(2-9)12-3-6(8)11-7(10)4-12/h2-3H,4,9H2,1H3,(H2,10,11)/b5-2-.
What are the key properties of 1-[(Z)-1-aminoprop-1-en-2-yl]-5-bromo-2H-pyrazin-3-amine?
1-[(Z)-1-aminoprop-1-en-2-yl]-5-bromo-2H-pyrazin-3-amine has a molecular weight of 231.10 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-aminoprop-1-en-2-yl]-5-bromo-2H-pyrazin-3-amine is sourced from PubChem (CID 142817066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).