2-methyl-4,6-diphenoxy-1,3,5-triazine

C16H13N3O2 — CID 12920

IUPAC2-methyl-4,6-diphenoxy-1,3,5-triazine
SMILESCc1nc(Oc2ccccc2)nc(Oc2ccccc2)n1
InChIInChI=1S/C16H13N3O2/c1-12-17-15(20-13-8-4-2-5-9-13)19-16(18-12)21-14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyCIVUCXVOJPWKQT-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.76
Rot. Bonds4

About 2-methyl-4,6-diphenoxy-1,3,5-triazine

2-methyl-4,6-diphenoxy-1,3,5-triazine (PubChem CID 12920) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-methyl-4,6-diphenoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-methyl-4,6-diphenoxy-1,3,5-triazine
PubChem CID12920
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-methyl-4,6-diphenoxy-1,3,5-triazine
SMILESCc1nc(Oc2ccccc2)nc(Oc2ccccc2)n1
InChIInChI=1S/C16H13N3O2/c1-12-17-15(20-13-8-4-2-5-9-13)19-16(18-12)21-14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyCIVUCXVOJPWKQT-UHFFFAOYSA-N
XLogP3.76
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,6-diphenoxy-1,3,5-triazine?
The IUPAC name of 2-methyl-4,6-diphenoxy-1,3,5-triazine (CID 12920) is 2-methyl-4,6-diphenoxy-1,3,5-triazine.
What is the SMILES notation for 2-methyl-4,6-diphenoxy-1,3,5-triazine?
The canonical SMILES for 2-methyl-4,6-diphenoxy-1,3,5-triazine is Cc1nc(Oc2ccccc2)nc(Oc2ccccc2)n1.
What is the InChIKey of 2-methyl-4,6-diphenoxy-1,3,5-triazine?
The InChIKey is CIVUCXVOJPWKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-12-17-15(20-13-8-4-2-5-9-13)19-16(18-12)21-14-10-6-3-7-11-14/h2-11H,1H3.
What are the key properties of 2-methyl-4,6-diphenoxy-1,3,5-triazine?
2-methyl-4,6-diphenoxy-1,3,5-triazine has a molecular weight of 279.30 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,6-diphenoxy-1,3,5-triazine is sourced from PubChem (CID 12920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).