3-[[3-(methoxymethyl)phenyl]methylamino]pyrazine-2-carbonitrile

C14H14N4O — CID 62672178

IUPAC3-[[3-(methoxymethyl)phenyl]methylamino]pyrazine-2-carbonitrile
SMILESCOCc1cccc(CNc2nccnc2C#N)c1
InChIInChI=1S/C14H14N4O/c1-19-10-12-4-2-3-11(7-12)9-18-14-13(8-15)16-5-6-17-14/h2-7H,9-10H2,1H3,(H,17,18)
InChIKeyCTXFSKVSKLTNKN-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.11
Rot. Bonds5

About 3-[[3-(methoxymethyl)phenyl]methylamino]pyrazine-2-carbonitrile

3-[[3-(methoxymethyl)phenyl]methylamino]pyrazine-2-carbonitrile (PubChem CID 62672178) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[[3-(methoxymethyl)phenyl]methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[[3-(methoxymethyl)phenyl]methylamino]pyrazine-2-carbonitrile
PubChem CID62672178
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name3-[[3-(methoxymethyl)phenyl]methylamino]pyrazine-2-carbonitrile
SMILESCOCc1cccc(CNc2nccnc2C#N)c1
InChIInChI=1S/C14H14N4O/c1-19-10-12-4-2-3-11(7-12)9-18-14-13(8-15)16-5-6-17-14/h2-7H,9-10H2,1H3,(H,17,18)
InChIKeyCTXFSKVSKLTNKN-UHFFFAOYSA-N
XLogP2.11
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(methoxymethyl)phenyl]methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[[3-(methoxymethyl)phenyl]methylamino]pyrazine-2-carbonitrile (CID 62672178) is 3-[[3-(methoxymethyl)phenyl]methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[[3-(methoxymethyl)phenyl]methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[[3-(methoxymethyl)phenyl]methylamino]pyrazine-2-carbonitrile is COCc1cccc(CNc2nccnc2C#N)c1.
What is the InChIKey of 3-[[3-(methoxymethyl)phenyl]methylamino]pyrazine-2-carbonitrile?
The InChIKey is CTXFSKVSKLTNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-19-10-12-4-2-3-11(7-12)9-18-14-13(8-15)16-5-6-17-14/h2-7H,9-10H2,1H3,(H,17,18).
What are the key properties of 3-[[3-(methoxymethyl)phenyl]methylamino]pyrazine-2-carbonitrile?
3-[[3-(methoxymethyl)phenyl]methylamino]pyrazine-2-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(methoxymethyl)phenyl]methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 62672178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).