3-(6-methylpyrazin-2-yl)oxybenzonitrile

C12H9N3O — CID 74766091

IUPAC3-(6-methylpyrazin-2-yl)oxybenzonitrile
SMILESCc1cncc(Oc2cccc(C#N)c2)n1
InChIInChI=1S/C12H9N3O/c1-9-7-14-8-12(15-9)16-11-4-2-3-10(5-11)6-13/h2-5,7-8H,1H3
InChIKeyBYCXWDLAFFCCDE-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.45
Rot. Bonds2

About 3-(6-methylpyrazin-2-yl)oxybenzonitrile

3-(6-methylpyrazin-2-yl)oxybenzonitrile (PubChem CID 74766091) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-(6-methylpyrazin-2-yl)oxybenzonitrile.

Molecular Properties

Compound Name3-(6-methylpyrazin-2-yl)oxybenzonitrile
PubChem CID74766091
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name3-(6-methylpyrazin-2-yl)oxybenzonitrile
SMILESCc1cncc(Oc2cccc(C#N)c2)n1
InChIInChI=1S/C12H9N3O/c1-9-7-14-8-12(15-9)16-11-4-2-3-10(5-11)6-13/h2-5,7-8H,1H3
InChIKeyBYCXWDLAFFCCDE-UHFFFAOYSA-N
XLogP2.45
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Pyrazin-2-yloxy)benzonitrile
CID 4435389
5-[(1,3-Dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)oxy]-2-pyrazinecarbonitrile
CID 122178900
5-Isobutyl-3-methyl-2-phenoxypyrazine
CID 528137
3-[3-(Trifluoromethyl)phenoxy]pyrazine-2-carbonitrile
CID 2821109
2-(Pyrazin-2-yloxy)benzonitrile
CID 47002532
N'-hydroxy-3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide
CID 2822034
1-[4-(2-Pyrazinyloxy)phenyl]-1-ethanone oxime
CID 5915015
{4-[(6-Methylpyrazin-2-yl)oxy]phenyl}methanol
CID 24229691
4-[(6-Methylpyrazin-2-yl)oxy]benzylamine
CID 24229693
N-Methyl-4-[(6-methylpyrazin-2-yl)oxy]benzylamine
CID 24229697
3-Methyl-5-(3-methylpentyl)-2-phenoxypyrazine
CID 44327248
2-Phenoxy-5-propan-2-ylpyrazine
CID 44328027

Frequently Asked Questions

What is the IUPAC name of 3-(6-methylpyrazin-2-yl)oxybenzonitrile?
The IUPAC name of 3-(6-methylpyrazin-2-yl)oxybenzonitrile (CID 74766091) is 3-(6-methylpyrazin-2-yl)oxybenzonitrile.
What is the SMILES notation for 3-(6-methylpyrazin-2-yl)oxybenzonitrile?
The canonical SMILES for 3-(6-methylpyrazin-2-yl)oxybenzonitrile is Cc1cncc(Oc2cccc(C#N)c2)n1.
What is the InChIKey of 3-(6-methylpyrazin-2-yl)oxybenzonitrile?
The InChIKey is BYCXWDLAFFCCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c1-9-7-14-8-12(15-9)16-11-4-2-3-10(5-11)6-13/h2-5,7-8H,1H3.
What are the key properties of 3-(6-methylpyrazin-2-yl)oxybenzonitrile?
3-(6-methylpyrazin-2-yl)oxybenzonitrile has a molecular weight of 211.22 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylpyrazin-2-yl)oxybenzonitrile is sourced from PubChem (CID 74766091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).