3-(methoxymethyl)pyrazine-2-carbonitrile

C7H7N3O — CID 142789280

IUPAC3-(methoxymethyl)pyrazine-2-carbonitrile
SMILESCOCc1nccnc1C#N
InChIInChI=1S/C7H7N3O/c1-11-5-7-6(4-8)9-2-3-10-7/h2-3H,5H2,1H3
InChIKeyFZSBLXQYVQGWJT-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.49
Rot. Bonds2

About 3-(methoxymethyl)pyrazine-2-carbonitrile

3-(methoxymethyl)pyrazine-2-carbonitrile (PubChem CID 142789280) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 3-(methoxymethyl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(methoxymethyl)pyrazine-2-carbonitrile
PubChem CID142789280
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name3-(methoxymethyl)pyrazine-2-carbonitrile
SMILESCOCc1nccnc1C#N
InChIInChI=1S/C7H7N3O/c1-11-5-7-6(4-8)9-2-3-10-7/h2-3H,5H2,1H3
InChIKeyFZSBLXQYVQGWJT-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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Related Compounds

2-Methoxy-(3,5 or 6)-methylpyrazine
CID 113204
Pyrazine, 2-ethoxymethyl-
CID 103404
Methyl pyrazine-2-carboximidate
CID 470894
2,5-Bis(methoxymethyl)pyrazine
CID 14257640
(3-Methylpyrazin-2-yl)methyl acetate
CID 12827808
O-methyl pyrazine-2-carbothioate
CID 176425937
Methyl N-cyanopyrazinecarboximidate
CID 10057818
2-(Methoxymethyl)-5-methylpyrazine
CID 13446309
2-(Ethoxymethyl)-5-methylpyrazine
CID 13446310
2-(Butoxymethyl)-5-methylpyrazine
CID 13446311
2-(Propoxymethyl)pyrazine
CID 53678102
2-(Butoxymethyl)pyrazine
CID 54527818

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)pyrazine-2-carbonitrile?
The IUPAC name of 3-(methoxymethyl)pyrazine-2-carbonitrile (CID 142789280) is 3-(methoxymethyl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(methoxymethyl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(methoxymethyl)pyrazine-2-carbonitrile is COCc1nccnc1C#N.
What is the InChIKey of 3-(methoxymethyl)pyrazine-2-carbonitrile?
The InChIKey is FZSBLXQYVQGWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-11-5-7-6(4-8)9-2-3-10-7/h2-3H,5H2,1H3.
What are the key properties of 3-(methoxymethyl)pyrazine-2-carbonitrile?
3-(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 3-(methoxymethyl)pyrazine-2-carbonitrile is sourced from PubChem (CID 142789280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).