2-(1,3-dioxolan-2-yl)pyrazine

C7H8N2O2 — CID 57176001

IUPAC2-(1,3-dioxolan-2-yl)pyrazine
SMILESc1cnc(C2OCCO2)cn1
InChIInChI=1S/C7H8N2O2/c1-2-9-6(5-8-1)7-10-3-4-11-7/h1-2,5,7H,3-4H2
InChIKeyJJKMQRMTPZWLCZ-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.52
Rot. Bonds1

About 2-(1,3-dioxolan-2-yl)pyrazine

2-(1,3-dioxolan-2-yl)pyrazine (PubChem CID 57176001) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)pyrazine.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)pyrazine
PubChem CID57176001
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name2-(1,3-dioxolan-2-yl)pyrazine
SMILESc1cnc(C2OCCO2)cn1
InChIInChI=1S/C7H8N2O2/c1-2-9-6(5-8-1)7-10-3-4-11-7/h1-2,5,7H,3-4H2
InChIKeyJJKMQRMTPZWLCZ-UHFFFAOYSA-N
XLogP0.52
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)pyrazine?
The IUPAC name of 2-(1,3-dioxolan-2-yl)pyrazine (CID 57176001) is 2-(1,3-dioxolan-2-yl)pyrazine.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)pyrazine?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)pyrazine is c1cnc(C2OCCO2)cn1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)pyrazine?
The InChIKey is JJKMQRMTPZWLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-2-9-6(5-8-1)7-10-3-4-11-7/h1-2,5,7H,3-4H2.
What are the key properties of 2-(1,3-dioxolan-2-yl)pyrazine?
2-(1,3-dioxolan-2-yl)pyrazine has a molecular weight of 152.15 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)pyrazine is sourced from PubChem (CID 57176001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).