[3-(4-bromopyrazol-1-yl)pyrazin-2-yl]methanamine

C8H8BrN5 — CID 62673917

IUPAC[3-(4-bromopyrazol-1-yl)pyrazin-2-yl]methanamine
SMILESNCc1nccnc1-n1cc(Br)cn1
InChIInChI=1S/C8H8BrN5/c9-6-4-13-14(5-6)8-7(3-10)11-1-2-12-8/h1-2,4-5H,3,10H2
InChIKeyOPURIIQLKMVAJK-UHFFFAOYSA-N
MW254.09 g/mol
LogP0.88
Rot. Bonds2

About [3-(4-bromopyrazol-1-yl)pyrazin-2-yl]methanamine

[3-(4-bromopyrazol-1-yl)pyrazin-2-yl]methanamine (PubChem CID 62673917) has the molecular formula C8H8BrN5 and a molecular weight of 254.09 g/mol. Its IUPAC name is [3-(4-bromopyrazol-1-yl)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[3-(4-bromopyrazol-1-yl)pyrazin-2-yl]methanamine
PubChem CID62673917
Molecular FormulaC8H8BrN5
Molecular Weight254.09 g/mol
Exact Mass253.00
IUPAC Name[3-(4-bromopyrazol-1-yl)pyrazin-2-yl]methanamine
SMILESNCc1nccnc1-n1cc(Br)cn1
InChIInChI=1S/C8H8BrN5/c9-6-4-13-14(5-6)8-7(3-10)11-1-2-12-8/h1-2,4-5H,3,10H2
InChIKeyOPURIIQLKMVAJK-UHFFFAOYSA-N
XLogP0.88
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(4-bromopyrazol-1-yl)pyrazin-2-yl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromopyrazol-1-yl)pyrazin-2-yl]methanamine?
The IUPAC name of [3-(4-bromopyrazol-1-yl)pyrazin-2-yl]methanamine (CID 62673917) is [3-(4-bromopyrazol-1-yl)pyrazin-2-yl]methanamine.
What is the SMILES notation for [3-(4-bromopyrazol-1-yl)pyrazin-2-yl]methanamine?
The canonical SMILES for [3-(4-bromopyrazol-1-yl)pyrazin-2-yl]methanamine is NCc1nccnc1-n1cc(Br)cn1.
What is the InChIKey of [3-(4-bromopyrazol-1-yl)pyrazin-2-yl]methanamine?
The InChIKey is OPURIIQLKMVAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN5/c9-6-4-13-14(5-6)8-7(3-10)11-1-2-12-8/h1-2,4-5H,3,10H2.
What are the key properties of [3-(4-bromopyrazol-1-yl)pyrazin-2-yl]methanamine?
[3-(4-bromopyrazol-1-yl)pyrazin-2-yl]methanamine has a molecular weight of 254.09 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromopyrazol-1-yl)pyrazin-2-yl]methanamine is sourced from PubChem (CID 62673917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).