5-bromo-3-N-(1H-indol-4-yl)pyrazine-2,3-diamine

C12H10BrN5 — CID 87270720

IUPAC5-bromo-3-N-(1H-indol-4-yl)pyrazine-2,3-diamine
SMILESNc1ncc(Br)nc1Nc1cccc2[nH]ccc12
InChIInChI=1S/C12H10BrN5/c13-10-6-16-11(14)12(18-10)17-9-3-1-2-8-7(9)4-5-15-8/h1-6,15H,(H2,14,16)(H,17,18)
InChIKeyAGRZWAXUPVBNPY-UHFFFAOYSA-N
MW304.15 g/mol
LogP3.05
Rot. Bonds2

About 5-bromo-3-N-(1H-indol-4-yl)pyrazine-2,3-diamine

5-bromo-3-N-(1H-indol-4-yl)pyrazine-2,3-diamine (PubChem CID 87270720) has the molecular formula C12H10BrN5 and a molecular weight of 304.15 g/mol. Its IUPAC name is 5-bromo-3-N-(1H-indol-4-yl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-3-N-(1H-indol-4-yl)pyrazine-2,3-diamine
PubChem CID87270720
Molecular FormulaC12H10BrN5
Molecular Weight304.15 g/mol
Exact Mass303.01
IUPAC Name5-bromo-3-N-(1H-indol-4-yl)pyrazine-2,3-diamine
SMILESNc1ncc(Br)nc1Nc1cccc2[nH]ccc12
InChIInChI=1S/C12H10BrN5/c13-10-6-16-11(14)12(18-10)17-9-3-1-2-8-7(9)4-5-15-8/h1-6,15H,(H2,14,16)(H,17,18)
InChIKeyAGRZWAXUPVBNPY-UHFFFAOYSA-N
XLogP3.05
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-N-(1H-indol-4-yl)pyrazine-2,3-diamine?
The IUPAC name of 5-bromo-3-N-(1H-indol-4-yl)pyrazine-2,3-diamine (CID 87270720) is 5-bromo-3-N-(1H-indol-4-yl)pyrazine-2,3-diamine.
What is the SMILES notation for 5-bromo-3-N-(1H-indol-4-yl)pyrazine-2,3-diamine?
The canonical SMILES for 5-bromo-3-N-(1H-indol-4-yl)pyrazine-2,3-diamine is Nc1ncc(Br)nc1Nc1cccc2[nH]ccc12.
What is the InChIKey of 5-bromo-3-N-(1H-indol-4-yl)pyrazine-2,3-diamine?
The InChIKey is AGRZWAXUPVBNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN5/c13-10-6-16-11(14)12(18-10)17-9-3-1-2-8-7(9)4-5-15-8/h1-6,15H,(H2,14,16)(H,17,18).
What are the key properties of 5-bromo-3-N-(1H-indol-4-yl)pyrazine-2,3-diamine?
5-bromo-3-N-(1H-indol-4-yl)pyrazine-2,3-diamine has a molecular weight of 304.15 g/mol, XLogP of 3.05, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-N-(1H-indol-4-yl)pyrazine-2,3-diamine is sourced from PubChem (CID 87270720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).