5-amino-2-(4-tert-butyl-3-oxopyrazin-2-yl)oxybenzonitrile

C15H16N4O2 — CID 62928301

IUPAC5-amino-2-(4-tert-butyl-3-oxopyrazin-2-yl)oxybenzonitrile
SMILESCC(C)(C)n1ccnc(Oc2ccc(N)cc2C#N)c1=O
InChIInChI=1S/C15H16N4O2/c1-15(2,3)19-7-6-18-13(14(19)20)21-12-5-4-11(17)8-10(12)9-16/h4-8H,17H2,1-3H3
InChIKeyLQGHMSVCCBMXRG-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.24
Rot. Bonds2

About 5-amino-2-(4-tert-butyl-3-oxopyrazin-2-yl)oxybenzonitrile

5-amino-2-(4-tert-butyl-3-oxopyrazin-2-yl)oxybenzonitrile (PubChem CID 62928301) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-amino-2-(4-tert-butyl-3-oxopyrazin-2-yl)oxybenzonitrile.

Molecular Properties

Compound Name5-amino-2-(4-tert-butyl-3-oxopyrazin-2-yl)oxybenzonitrile
PubChem CID62928301
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name5-amino-2-(4-tert-butyl-3-oxopyrazin-2-yl)oxybenzonitrile
SMILESCC(C)(C)n1ccnc(Oc2ccc(N)cc2C#N)c1=O
InChIInChI=1S/C15H16N4O2/c1-15(2,3)19-7-6-18-13(14(19)20)21-12-5-4-11(17)8-10(12)9-16/h4-8H,17H2,1-3H3
InChIKeyLQGHMSVCCBMXRG-UHFFFAOYSA-N
XLogP2.24
TPSA93.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-amino-2-(4-tert-butyl-3-oxopyrazin-2-yl)oxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-tert-butyl-3-oxopyrazin-2-yl)oxybenzonitrile?
The IUPAC name of 5-amino-2-(4-tert-butyl-3-oxopyrazin-2-yl)oxybenzonitrile (CID 62928301) is 5-amino-2-(4-tert-butyl-3-oxopyrazin-2-yl)oxybenzonitrile.
What is the SMILES notation for 5-amino-2-(4-tert-butyl-3-oxopyrazin-2-yl)oxybenzonitrile?
The canonical SMILES for 5-amino-2-(4-tert-butyl-3-oxopyrazin-2-yl)oxybenzonitrile is CC(C)(C)n1ccnc(Oc2ccc(N)cc2C#N)c1=O.
What is the InChIKey of 5-amino-2-(4-tert-butyl-3-oxopyrazin-2-yl)oxybenzonitrile?
The InChIKey is LQGHMSVCCBMXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-15(2,3)19-7-6-18-13(14(19)20)21-12-5-4-11(17)8-10(12)9-16/h4-8H,17H2,1-3H3.
What are the key properties of 5-amino-2-(4-tert-butyl-3-oxopyrazin-2-yl)oxybenzonitrile?
5-amino-2-(4-tert-butyl-3-oxopyrazin-2-yl)oxybenzonitrile has a molecular weight of 284.32 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-tert-butyl-3-oxopyrazin-2-yl)oxybenzonitrile is sourced from PubChem (CID 62928301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).