(5-amino-6-bromopyrazin-2-yl)-pyrazin-2-ylmethanone

C9H6BrN5O — CID 129057388

IUPAC(5-amino-6-bromopyrazin-2-yl)-pyrazin-2-ylmethanone
SMILESNc1ncc(C(=O)c2cnccn2)nc1Br
InChIInChI=1S/C9H6BrN5O/c10-8-9(11)14-4-6(15-8)7(16)5-3-12-1-2-13-5/h1-4H,(H2,11,14)
InChIKeyRHGAARCBSMRMAH-UHFFFAOYSA-N
MW280.08 g/mol
LogP0.84
Rot. Bonds2

About (5-amino-6-bromopyrazin-2-yl)-pyrazin-2-ylmethanone

(5-amino-6-bromopyrazin-2-yl)-pyrazin-2-ylmethanone (PubChem CID 129057388) has the molecular formula C9H6BrN5O and a molecular weight of 280.08 g/mol. Its IUPAC name is (5-amino-6-bromopyrazin-2-yl)-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name(5-amino-6-bromopyrazin-2-yl)-pyrazin-2-ylmethanone
PubChem CID129057388
Molecular FormulaC9H6BrN5O
Molecular Weight280.08 g/mol
Exact Mass278.98
IUPAC Name(5-amino-6-bromopyrazin-2-yl)-pyrazin-2-ylmethanone
SMILESNc1ncc(C(=O)c2cnccn2)nc1Br
InChIInChI=1S/C9H6BrN5O/c10-8-9(11)14-4-6(15-8)7(16)5-3-12-1-2-13-5/h1-4H,(H2,11,14)
InChIKeyRHGAARCBSMRMAH-UHFFFAOYSA-N
XLogP0.84
TPSA94.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.08
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-amino-6-bromopyrazin-2-yl)-pyrazin-2-ylmethanone?
The IUPAC name of (5-amino-6-bromopyrazin-2-yl)-pyrazin-2-ylmethanone (CID 129057388) is (5-amino-6-bromopyrazin-2-yl)-pyrazin-2-ylmethanone.
What is the SMILES notation for (5-amino-6-bromopyrazin-2-yl)-pyrazin-2-ylmethanone?
The canonical SMILES for (5-amino-6-bromopyrazin-2-yl)-pyrazin-2-ylmethanone is Nc1ncc(C(=O)c2cnccn2)nc1Br.
What is the InChIKey of (5-amino-6-bromopyrazin-2-yl)-pyrazin-2-ylmethanone?
The InChIKey is RHGAARCBSMRMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN5O/c10-8-9(11)14-4-6(15-8)7(16)5-3-12-1-2-13-5/h1-4H,(H2,11,14).
What are the key properties of (5-amino-6-bromopyrazin-2-yl)-pyrazin-2-ylmethanone?
(5-amino-6-bromopyrazin-2-yl)-pyrazin-2-ylmethanone has a molecular weight of 280.08 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-6-bromopyrazin-2-yl)-pyrazin-2-ylmethanone is sourced from PubChem (CID 129057388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).