3-(3-methoxyanilino)pyrazine-2-carbonitrile

C12H10N4O — CID 62685033

IUPAC3-(3-methoxyanilino)pyrazine-2-carbonitrile
SMILESCOc1cccc(Nc2nccnc2C#N)c1
InChIInChI=1S/C12H10N4O/c1-17-10-4-2-3-9(7-10)16-12-11(8-13)14-5-6-15-12/h2-7H,1H3,(H,15,16)
InChIKeyDUPZBLCCOJYAFH-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.10
Rot. Bonds3

About 3-(3-methoxyanilino)pyrazine-2-carbonitrile

3-(3-methoxyanilino)pyrazine-2-carbonitrile (PubChem CID 62685033) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-(3-methoxyanilino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(3-methoxyanilino)pyrazine-2-carbonitrile
PubChem CID62685033
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name3-(3-methoxyanilino)pyrazine-2-carbonitrile
SMILESCOc1cccc(Nc2nccnc2C#N)c1
InChIInChI=1S/C12H10N4O/c1-17-10-4-2-3-9(7-10)16-12-11(8-13)14-5-6-15-12/h2-7H,1H3,(H,15,16)
InChIKeyDUPZBLCCOJYAFH-UHFFFAOYSA-N
XLogP2.10
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-propoxyanilino)pyrazine-2-carbonitrile
CID 133282980
3-[3-[(2-methylphenyl)methoxy]anilino]pyrazine-2-carbonitrile
CID 133302111
4-(3-methoxyanilino)pyridine-2-carbonitrile
CID 55157440
3-[3-(trifluoromethyl)anilino]pyrazine-2-carbonitrile
CID 62685374
3-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile
CID 133390217
3-[3-(2-phenylethoxymethyl)anilino]pyrazine-2-carbonitrile
CID 133284293
3-(4-ethyl-3-methylanilino)pyrazine-2-carbonitrile
CID 113346577
3-(3-cyano-4-fluoroanilino)pyrazine-2-carbonitrile
CID 62683175
1-[2-(3-methoxyanilino)-3-pyridinyl]-2-methylpropan-1-one
CID 54313685
3-chloro-4-(3-methoxyanilino)benzonitrile
CID 55179677
3-[3-(4-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile
CID 133284146
2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonitrile
CID 110383534

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyanilino)pyrazine-2-carbonitrile?
The IUPAC name of 3-(3-methoxyanilino)pyrazine-2-carbonitrile (CID 62685033) is 3-(3-methoxyanilino)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(3-methoxyanilino)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(3-methoxyanilino)pyrazine-2-carbonitrile is COc1cccc(Nc2nccnc2C#N)c1.
What is the InChIKey of 3-(3-methoxyanilino)pyrazine-2-carbonitrile?
The InChIKey is DUPZBLCCOJYAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-17-10-4-2-3-9(7-10)16-12-11(8-13)14-5-6-15-12/h2-7H,1H3,(H,15,16).
What are the key properties of 3-(3-methoxyanilino)pyrazine-2-carbonitrile?
3-(3-methoxyanilino)pyrazine-2-carbonitrile has a molecular weight of 226.24 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyanilino)pyrazine-2-carbonitrile is sourced from PubChem (CID 62685033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).