2-(furan-2-yl)-1,2,3,4-tetrahydropyrazine-5,6-dicarbonitrile

C10H8N4O — CID 13244468

IUPAC2-(furan-2-yl)-1,2,3,4-tetrahydropyrazine-5,6-dicarbonitrile
SMILESN#CC1=C(C#N)NC(c2ccco2)CN1
InChIInChI=1S/C10H8N4O/c11-4-7-8(5-12)14-9(6-13-7)10-2-1-3-15-10/h1-3,9,13-14H,6H2
InChIKeyLMXQGBNSFOYESY-UHFFFAOYSA-N
MW200.20 g/mol
LogP0.77
Rot. Bonds1

About 2-(furan-2-yl)-1,2,3,4-tetrahydropyrazine-5,6-dicarbonitrile

2-(furan-2-yl)-1,2,3,4-tetrahydropyrazine-5,6-dicarbonitrile (PubChem CID 13244468) has the molecular formula C10H8N4O and a molecular weight of 200.20 g/mol. Its IUPAC name is 2-(furan-2-yl)-1,2,3,4-tetrahydropyrazine-5,6-dicarbonitrile.

Molecular Properties

Compound Name2-(furan-2-yl)-1,2,3,4-tetrahydropyrazine-5,6-dicarbonitrile
PubChem CID13244468
Molecular FormulaC10H8N4O
Molecular Weight200.20 g/mol
Exact Mass200.07
IUPAC Name2-(furan-2-yl)-1,2,3,4-tetrahydropyrazine-5,6-dicarbonitrile
SMILESN#CC1=C(C#N)NC(c2ccco2)CN1
InChIInChI=1S/C10H8N4O/c11-4-7-8(5-12)14-9(6-13-7)10-2-1-3-15-10/h1-3,9,13-14H,6H2
InChIKeyLMXQGBNSFOYESY-UHFFFAOYSA-N
XLogP0.77
TPSA84.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1,2,3,4-tetrahydropyrazine-5,6-dicarbonitrile?
The IUPAC name of 2-(furan-2-yl)-1,2,3,4-tetrahydropyrazine-5,6-dicarbonitrile (CID 13244468) is 2-(furan-2-yl)-1,2,3,4-tetrahydropyrazine-5,6-dicarbonitrile.
What is the SMILES notation for 2-(furan-2-yl)-1,2,3,4-tetrahydropyrazine-5,6-dicarbonitrile?
The canonical SMILES for 2-(furan-2-yl)-1,2,3,4-tetrahydropyrazine-5,6-dicarbonitrile is N#CC1=C(C#N)NC(c2ccco2)CN1.
What is the InChIKey of 2-(furan-2-yl)-1,2,3,4-tetrahydropyrazine-5,6-dicarbonitrile?
The InChIKey is LMXQGBNSFOYESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O/c11-4-7-8(5-12)14-9(6-13-7)10-2-1-3-15-10/h1-3,9,13-14H,6H2.
What are the key properties of 2-(furan-2-yl)-1,2,3,4-tetrahydropyrazine-5,6-dicarbonitrile?
2-(furan-2-yl)-1,2,3,4-tetrahydropyrazine-5,6-dicarbonitrile has a molecular weight of 200.20 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1,2,3,4-tetrahydropyrazine-5,6-dicarbonitrile is sourced from PubChem (CID 13244468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).