2-thiophen-2-ylpyrido[3,4-b]pyrazine

C11H7N3S — CID 19063766

IUPAC2-thiophen-2-ylpyrido[3,4-b]pyrazine
SMILESc1csc(-c2cnc3cnccc3n2)c1
InChIInChI=1S/C11H7N3S/c1-2-11(15-5-1)10-7-13-9-6-12-4-3-8(9)14-10/h1-7H
InChIKeyPBLNXRIYVUBQFS-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.75
Rot. Bonds1

About 2-thiophen-2-ylpyrido[3,4-b]pyrazine

2-thiophen-2-ylpyrido[3,4-b]pyrazine (PubChem CID 19063766) has the molecular formula C11H7N3S and a molecular weight of 213.27 g/mol. Its IUPAC name is 2-thiophen-2-ylpyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name2-thiophen-2-ylpyrido[3,4-b]pyrazine
PubChem CID19063766
Molecular FormulaC11H7N3S
Molecular Weight213.27 g/mol
Exact Mass213.04
IUPAC Name2-thiophen-2-ylpyrido[3,4-b]pyrazine
SMILESc1csc(-c2cnc3cnccc3n2)c1
InChIInChI=1S/C11H7N3S/c1-2-11(15-5-1)10-7-13-9-6-12-4-3-8(9)14-10/h1-7H
InChIKeyPBLNXRIYVUBQFS-UHFFFAOYSA-N
XLogP2.75
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylpyrido[3,4-b]pyrazine?
The IUPAC name of 2-thiophen-2-ylpyrido[3,4-b]pyrazine (CID 19063766) is 2-thiophen-2-ylpyrido[3,4-b]pyrazine.
What is the SMILES notation for 2-thiophen-2-ylpyrido[3,4-b]pyrazine?
The canonical SMILES for 2-thiophen-2-ylpyrido[3,4-b]pyrazine is c1csc(-c2cnc3cnccc3n2)c1.
What is the InChIKey of 2-thiophen-2-ylpyrido[3,4-b]pyrazine?
The InChIKey is PBLNXRIYVUBQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3S/c1-2-11(15-5-1)10-7-13-9-6-12-4-3-8(9)14-10/h1-7H.
What are the key properties of 2-thiophen-2-ylpyrido[3,4-b]pyrazine?
2-thiophen-2-ylpyrido[3,4-b]pyrazine has a molecular weight of 213.27 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylpyrido[3,4-b]pyrazine is sourced from PubChem (CID 19063766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).