5-(hydroxymethyl)-6-methylpyrazine-2,3-dicarbonitrile

C8H6N4O — CID 10631057

IUPAC5-(hydroxymethyl)-6-methylpyrazine-2,3-dicarbonitrile
SMILESCc1nc(C#N)c(C#N)nc1CO
InChIInChI=1S/C8H6N4O/c1-5-8(4-13)12-7(3-10)6(2-9)11-5/h13H,4H2,1H3
InChIKeyZZFFSQCUKGCTCO-UHFFFAOYSA-N
MW174.16 g/mol
LogP0.02
Rot. Bonds1

About 5-(hydroxymethyl)-6-methylpyrazine-2,3-dicarbonitrile

5-(hydroxymethyl)-6-methylpyrazine-2,3-dicarbonitrile (PubChem CID 10631057) has the molecular formula C8H6N4O and a molecular weight of 174.16 g/mol. Its IUPAC name is 5-(hydroxymethyl)-6-methylpyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name5-(hydroxymethyl)-6-methylpyrazine-2,3-dicarbonitrile
PubChem CID10631057
Molecular FormulaC8H6N4O
Molecular Weight174.16 g/mol
Exact Mass174.05
IUPAC Name5-(hydroxymethyl)-6-methylpyrazine-2,3-dicarbonitrile
SMILESCc1nc(C#N)c(C#N)nc1CO
InChIInChI=1S/C8H6N4O/c1-5-8(4-13)12-7(3-10)6(2-9)11-5/h13H,4H2,1H3
InChIKeyZZFFSQCUKGCTCO-UHFFFAOYSA-N
XLogP0.02
TPSA93.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-6-methylpyrazine-2,3-dicarbonitrile?
The IUPAC name of 5-(hydroxymethyl)-6-methylpyrazine-2,3-dicarbonitrile (CID 10631057) is 5-(hydroxymethyl)-6-methylpyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 5-(hydroxymethyl)-6-methylpyrazine-2,3-dicarbonitrile?
The canonical SMILES for 5-(hydroxymethyl)-6-methylpyrazine-2,3-dicarbonitrile is Cc1nc(C#N)c(C#N)nc1CO.
What is the InChIKey of 5-(hydroxymethyl)-6-methylpyrazine-2,3-dicarbonitrile?
The InChIKey is ZZFFSQCUKGCTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O/c1-5-8(4-13)12-7(3-10)6(2-9)11-5/h13H,4H2,1H3.
What are the key properties of 5-(hydroxymethyl)-6-methylpyrazine-2,3-dicarbonitrile?
5-(hydroxymethyl)-6-methylpyrazine-2,3-dicarbonitrile has a molecular weight of 174.16 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-6-methylpyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 10631057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).