3-[2-(methoxymethyl)anilino]pyrazine-2-carbonitrile

C13H12N4O — CID 62683507

IUPAC3-[2-(methoxymethyl)anilino]pyrazine-2-carbonitrile
SMILESCOCc1ccccc1Nc1nccnc1C#N
InChIInChI=1S/C13H12N4O/c1-18-9-10-4-2-3-5-11(10)17-13-12(8-14)15-6-7-16-13/h2-7H,9H2,1H3,(H,16,17)
InChIKeyNHWOZTOSTFBQOM-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.24
Rot. Bonds4

About 3-[2-(methoxymethyl)anilino]pyrazine-2-carbonitrile

3-[2-(methoxymethyl)anilino]pyrazine-2-carbonitrile (PubChem CID 62683507) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-[2-(methoxymethyl)anilino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[2-(methoxymethyl)anilino]pyrazine-2-carbonitrile
PubChem CID62683507
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name3-[2-(methoxymethyl)anilino]pyrazine-2-carbonitrile
SMILESCOCc1ccccc1Nc1nccnc1C#N
InChIInChI=1S/C13H12N4O/c1-18-9-10-4-2-3-5-11(10)17-13-12(8-14)15-6-7-16-13/h2-7H,9H2,1H3,(H,16,17)
InChIKeyNHWOZTOSTFBQOM-UHFFFAOYSA-N
XLogP2.24
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(methoxymethyl)anilino]pyrazine-2-carbothioamide
CID 62684293
3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]pyridine-2-carbonitrile
CID 62895390
3-[3-[(2-methylphenyl)methoxy]anilino]pyrazine-2-carbonitrile
CID 133302111
5-iodo-N-[2-(methoxymethyl)phenyl]pyrimidin-4-amine
CID 66320856
3-[[3-(methoxymethyl)phenyl]methylamino]pyrazine-2-carbonitrile
CID 62672178
2-[2-(methoxymethyl)anilino]-4-methylbenzonitrile
CID 55056695
3-[4-[benzyl(methyl)amino]anilino]pyrazine-2-carbonitrile
CID 133283837
3-(3-chloro-2-fluoroanilino)pyrazine-2-carbonitrile
CID 62684354
6-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine
CID 63023250
3-(5-chloro-2-methoxyanilino)pyrazine-2-carbonitrile
CID 62684861
3-(2-methoxyethylamino)pyrazine-2-carbonitrile
CID 62671434
5-fluoro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine
CID 80801553

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methoxymethyl)anilino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[2-(methoxymethyl)anilino]pyrazine-2-carbonitrile (CID 62683507) is 3-[2-(methoxymethyl)anilino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[2-(methoxymethyl)anilino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[2-(methoxymethyl)anilino]pyrazine-2-carbonitrile is COCc1ccccc1Nc1nccnc1C#N.
What is the InChIKey of 3-[2-(methoxymethyl)anilino]pyrazine-2-carbonitrile?
The InChIKey is NHWOZTOSTFBQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-18-9-10-4-2-3-5-11(10)17-13-12(8-14)15-6-7-16-13/h2-7H,9H2,1H3,(H,16,17).
What are the key properties of 3-[2-(methoxymethyl)anilino]pyrazine-2-carbonitrile?
3-[2-(methoxymethyl)anilino]pyrazine-2-carbonitrile has a molecular weight of 240.27 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methoxymethyl)anilino]pyrazine-2-carbonitrile is sourced from PubChem (CID 62683507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).