5-amino-2-(3-methylpyrazin-2-yl)oxybenzonitrile

C12H10N4O — CID 83062806

IUPAC5-amino-2-(3-methylpyrazin-2-yl)oxybenzonitrile
SMILESCc1nccnc1Oc1ccc(N)cc1C#N
InChIInChI=1S/C12H10N4O/c1-8-12(16-5-4-15-8)17-11-3-2-10(14)6-9(11)7-13/h2-6H,14H2,1H3
InChIKeyUPWMWKZPHDUXON-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.03
Rot. Bonds2

About 5-amino-2-(3-methylpyrazin-2-yl)oxybenzonitrile

5-amino-2-(3-methylpyrazin-2-yl)oxybenzonitrile (PubChem CID 83062806) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-amino-2-(3-methylpyrazin-2-yl)oxybenzonitrile.

Molecular Properties

Compound Name5-amino-2-(3-methylpyrazin-2-yl)oxybenzonitrile
PubChem CID83062806
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name5-amino-2-(3-methylpyrazin-2-yl)oxybenzonitrile
SMILESCc1nccnc1Oc1ccc(N)cc1C#N
InChIInChI=1S/C12H10N4O/c1-8-12(16-5-4-15-8)17-11-3-2-10(14)6-9(11)7-13/h2-6H,14H2,1H3
InChIKeyUPWMWKZPHDUXON-UHFFFAOYSA-N
XLogP2.03
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-methyl-3-(3-methylpyrazin-2-yl)oxyaniline
CID 83065097
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5-amino-2-pyridin-2-yloxybenzonitrile
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5-amino-2-(4-tert-butyl-3-oxopyrazin-2-yl)oxybenzonitrile
CID 62928301
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CID 62670401
5-amino-2-(2,3,5-trimethylphenoxy)benzonitrile
CID 61297479
5-amino-2-(pyrimidin-2-ylmethoxy)benzonitrile
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5-amino-2-(cyanomethoxy)benzonitrile
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5-chloro-2-(3-methylpyrazin-2-yl)oxyaniline
CID 83064435
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CID 63458751

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-methylpyrazin-2-yl)oxybenzonitrile?
The IUPAC name of 5-amino-2-(3-methylpyrazin-2-yl)oxybenzonitrile (CID 83062806) is 5-amino-2-(3-methylpyrazin-2-yl)oxybenzonitrile.
What is the SMILES notation for 5-amino-2-(3-methylpyrazin-2-yl)oxybenzonitrile?
The canonical SMILES for 5-amino-2-(3-methylpyrazin-2-yl)oxybenzonitrile is Cc1nccnc1Oc1ccc(N)cc1C#N.
What is the InChIKey of 5-amino-2-(3-methylpyrazin-2-yl)oxybenzonitrile?
The InChIKey is UPWMWKZPHDUXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-8-12(16-5-4-15-8)17-11-3-2-10(14)6-9(11)7-13/h2-6H,14H2,1H3.
What are the key properties of 5-amino-2-(3-methylpyrazin-2-yl)oxybenzonitrile?
5-amino-2-(3-methylpyrazin-2-yl)oxybenzonitrile has a molecular weight of 226.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-methylpyrazin-2-yl)oxybenzonitrile is sourced from PubChem (CID 83062806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).