2-N-(1,2-oxazol-4-yl)-6-phenyl-1,3,5-triazine-2,4-diamine

C12H10N6O — CID 90469568

IUPAC2-N-(1,2-oxazol-4-yl)-6-phenyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2cnoc2)nc(-c2ccccc2)n1
InChIInChI=1S/C12H10N6O/c13-11-16-10(8-4-2-1-3-5-8)17-12(18-11)15-9-6-14-19-7-9/h1-7H,(H3,13,15,16,17,18)
InChIKeyPZYSVORAFQZKPQ-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.85
Rot. Bonds3

About 2-N-(1,2-oxazol-4-yl)-6-phenyl-1,3,5-triazine-2,4-diamine

2-N-(1,2-oxazol-4-yl)-6-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 90469568) has the molecular formula C12H10N6O and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-N-(1,2-oxazol-4-yl)-6-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1,2-oxazol-4-yl)-6-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID90469568
Molecular FormulaC12H10N6O
Molecular Weight254.25 g/mol
Exact Mass254.09
IUPAC Name2-N-(1,2-oxazol-4-yl)-6-phenyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2cnoc2)nc(-c2ccccc2)n1
InChIInChI=1S/C12H10N6O/c13-11-16-10(8-4-2-1-3-5-8)17-12(18-11)15-9-6-14-19-7-9/h1-7H,(H3,13,15,16,17,18)
InChIKeyPZYSVORAFQZKPQ-UHFFFAOYSA-N
XLogP1.85
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1,2-oxazol-4-yl)-6-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1,2-oxazol-4-yl)-6-phenyl-1,3,5-triazine-2,4-diamine (CID 90469568) is 2-N-(1,2-oxazol-4-yl)-6-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1,2-oxazol-4-yl)-6-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1,2-oxazol-4-yl)-6-phenyl-1,3,5-triazine-2,4-diamine is Nc1nc(Nc2cnoc2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-N-(1,2-oxazol-4-yl)-6-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is PZYSVORAFQZKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O/c13-11-16-10(8-4-2-1-3-5-8)17-12(18-11)15-9-6-14-19-7-9/h1-7H,(H3,13,15,16,17,18).
What are the key properties of 2-N-(1,2-oxazol-4-yl)-6-phenyl-1,3,5-triazine-2,4-diamine?
2-N-(1,2-oxazol-4-yl)-6-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 254.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,2-oxazol-4-yl)-6-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 90469568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).