3-N-[1-(4-bromophenyl)ethyl]pyrazine-2,3-diamine

C12H13BrN4 — CID 113228949

IUPAC3-N-[1-(4-bromophenyl)ethyl]pyrazine-2,3-diamine
SMILESCC(Nc1nccnc1N)c1ccc(Br)cc1
InChIInChI=1S/C12H13BrN4/c1-8(9-2-4-10(13)5-3-9)17-12-11(14)15-6-7-16-12/h2-8H,1H3,(H2,14,15)(H,16,17)
InChIKeyQRZNFFDNSYLLKG-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.99
Rot. Bonds3

About 3-N-[1-(4-bromophenyl)ethyl]pyrazine-2,3-diamine

3-N-[1-(4-bromophenyl)ethyl]pyrazine-2,3-diamine (PubChem CID 113228949) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 3-N-[1-(4-bromophenyl)ethyl]pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-[1-(4-bromophenyl)ethyl]pyrazine-2,3-diamine
PubChem CID113228949
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name3-N-[1-(4-bromophenyl)ethyl]pyrazine-2,3-diamine
SMILESCC(Nc1nccnc1N)c1ccc(Br)cc1
InChIInChI=1S/C12H13BrN4/c1-8(9-2-4-10(13)5-3-9)17-12-11(14)15-6-7-16-12/h2-8H,1H3,(H2,14,15)(H,16,17)
InChIKeyQRZNFFDNSYLLKG-UHFFFAOYSA-N
XLogP2.99
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[(1R)-1-phenylethyl]pyrazine-2,3-diamine
CID 66699794
3-N-(1-phenylethyl)pyrazine-2,3-diamine
CID 66699795
3-[1-(4-bromophenyl)ethylamino]pyrazine-2-carbonitrile
CID 62673239
N-[1-(4-bromophenyl)ethyl]-1-methylimidazol-2-amine
CID 62133310
methyl 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carboxylate
CID 60722191
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CID 80784422
5-bromo-N-[1-(4-bromophenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64625308
N-[1-(4-aminophenyl)ethyl]-5-bromoisoquinolin-1-amine
CID 106541086
3-[1-(4-aminophenyl)ethylamino]pyrazine-2-carboxamide
CID 55103195
N-[1-(4-bromophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 55112715
2-N-[1-(4-bromophenyl)ethyl]-3-nitropyridine-2,6-diamine
CID 80802122
(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
CID 81353910

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(4-bromophenyl)ethyl]pyrazine-2,3-diamine?
The IUPAC name of 3-N-[1-(4-bromophenyl)ethyl]pyrazine-2,3-diamine (CID 113228949) is 3-N-[1-(4-bromophenyl)ethyl]pyrazine-2,3-diamine.
What is the SMILES notation for 3-N-[1-(4-bromophenyl)ethyl]pyrazine-2,3-diamine?
The canonical SMILES for 3-N-[1-(4-bromophenyl)ethyl]pyrazine-2,3-diamine is CC(Nc1nccnc1N)c1ccc(Br)cc1.
What is the InChIKey of 3-N-[1-(4-bromophenyl)ethyl]pyrazine-2,3-diamine?
The InChIKey is QRZNFFDNSYLLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-8(9-2-4-10(13)5-3-9)17-12-11(14)15-6-7-16-12/h2-8H,1H3,(H2,14,15)(H,16,17).
What are the key properties of 3-N-[1-(4-bromophenyl)ethyl]pyrazine-2,3-diamine?
3-N-[1-(4-bromophenyl)ethyl]pyrazine-2,3-diamine has a molecular weight of 293.17 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(4-bromophenyl)ethyl]pyrazine-2,3-diamine is sourced from PubChem (CID 113228949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).