4-bromo-1-(3,6-dimethylpyrazin-2-yl)pyrazol-3-amine

C9H10BrN5 — CID 61177361

IUPAC4-bromo-1-(3,6-dimethylpyrazin-2-yl)pyrazol-3-amine
SMILESCc1cnc(C)c(-n2cc(Br)c(N)n2)n1
InChIInChI=1S/C9H10BrN5/c1-5-3-12-6(2)9(13-5)15-4-7(10)8(11)14-15/h3-4H,1-2H3,(H2,11,14)
InChIKeyJPBVIYRXVUAYQT-UHFFFAOYSA-N
MW268.12 g/mol
LogP1.62
Rot. Bonds1

About 4-bromo-1-(3,6-dimethylpyrazin-2-yl)pyrazol-3-amine

4-bromo-1-(3,6-dimethylpyrazin-2-yl)pyrazol-3-amine (PubChem CID 61177361) has the molecular formula C9H10BrN5 and a molecular weight of 268.12 g/mol. Its IUPAC name is 4-bromo-1-(3,6-dimethylpyrazin-2-yl)pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-(3,6-dimethylpyrazin-2-yl)pyrazol-3-amine
PubChem CID61177361
Molecular FormulaC9H10BrN5
Molecular Weight268.12 g/mol
Exact Mass267.01
IUPAC Name4-bromo-1-(3,6-dimethylpyrazin-2-yl)pyrazol-3-amine
SMILESCc1cnc(C)c(-n2cc(Br)c(N)n2)n1
InChIInChI=1S/C9H10BrN5/c1-5-3-12-6(2)9(13-5)15-4-7(10)8(11)14-15/h3-4H,1-2H3,(H2,11,14)
InChIKeyJPBVIYRXVUAYQT-UHFFFAOYSA-N
XLogP1.62
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.12
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(3,6-dimethylpyrazin-2-yl)pyrazol-3-amine?
The IUPAC name of 4-bromo-1-(3,6-dimethylpyrazin-2-yl)pyrazol-3-amine (CID 61177361) is 4-bromo-1-(3,6-dimethylpyrazin-2-yl)pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-(3,6-dimethylpyrazin-2-yl)pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-(3,6-dimethylpyrazin-2-yl)pyrazol-3-amine is Cc1cnc(C)c(-n2cc(Br)c(N)n2)n1.
What is the InChIKey of 4-bromo-1-(3,6-dimethylpyrazin-2-yl)pyrazol-3-amine?
The InChIKey is JPBVIYRXVUAYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5/c1-5-3-12-6(2)9(13-5)15-4-7(10)8(11)14-15/h3-4H,1-2H3,(H2,11,14).
What are the key properties of 4-bromo-1-(3,6-dimethylpyrazin-2-yl)pyrazol-3-amine?
4-bromo-1-(3,6-dimethylpyrazin-2-yl)pyrazol-3-amine has a molecular weight of 268.12 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(3,6-dimethylpyrazin-2-yl)pyrazol-3-amine is sourced from PubChem (CID 61177361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).