5-(methoxymethyl)pyrazine-2-carbonitrile

C7H7N3O — CID 167478287

IUPAC5-(methoxymethyl)pyrazine-2-carbonitrile
SMILESCOCc1cnc(C#N)cn1
InChIInChI=1S/C7H7N3O/c1-11-5-7-4-9-6(2-8)3-10-7/h3-4H,5H2,1H3
InChIKeyFWNBFMVSEOPNMS-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.49
Rot. Bonds2

About 5-(methoxymethyl)pyrazine-2-carbonitrile

5-(methoxymethyl)pyrazine-2-carbonitrile (PubChem CID 167478287) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 5-(methoxymethyl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(methoxymethyl)pyrazine-2-carbonitrile
PubChem CID167478287
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name5-(methoxymethyl)pyrazine-2-carbonitrile
SMILESCOCc1cnc(C#N)cn1
InChIInChI=1S/C7H7N3O/c1-11-5-7-4-9-6(2-8)3-10-7/h3-4H,5H2,1H3
InChIKeyFWNBFMVSEOPNMS-UHFFFAOYSA-N
XLogP0.49
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)pyrazine-2-carbonitrile?
The IUPAC name of 5-(methoxymethyl)pyrazine-2-carbonitrile (CID 167478287) is 5-(methoxymethyl)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(methoxymethyl)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(methoxymethyl)pyrazine-2-carbonitrile is COCc1cnc(C#N)cn1.
What is the InChIKey of 5-(methoxymethyl)pyrazine-2-carbonitrile?
The InChIKey is FWNBFMVSEOPNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-11-5-7-4-9-6(2-8)3-10-7/h3-4H,5H2,1H3.
What are the key properties of 5-(methoxymethyl)pyrazine-2-carbonitrile?
5-(methoxymethyl)pyrazine-2-carbonitrile has a molecular weight of 149.15 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)pyrazine-2-carbonitrile is sourced from PubChem (CID 167478287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).