3,5-bis(1,3,5-triazin-2-yl)benzamide

C13H9N7O — CID 68557483

IUPAC3,5-bis(1,3,5-triazin-2-yl)benzamide
SMILESNC(=O)c1cc(-c2ncncn2)cc(-c2ncncn2)c1
InChIInChI=1S/C13H9N7O/c14-11(21)8-1-9(12-17-4-15-5-18-12)3-10(2-8)13-19-6-16-7-20-13/h1-7H,(H2,14,21)
InChIKeyOWYWNKPRMWWEOA-UHFFFAOYSA-N
MW279.26 g/mol
LogP0.49
Rot. Bonds3

About 3,5-bis(1,3,5-triazin-2-yl)benzamide

3,5-bis(1,3,5-triazin-2-yl)benzamide (PubChem CID 68557483) has the molecular formula C13H9N7O and a molecular weight of 279.26 g/mol. Its IUPAC name is 3,5-bis(1,3,5-triazin-2-yl)benzamide.

Molecular Properties

Compound Name3,5-bis(1,3,5-triazin-2-yl)benzamide
PubChem CID68557483
Molecular FormulaC13H9N7O
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name3,5-bis(1,3,5-triazin-2-yl)benzamide
SMILESNC(=O)c1cc(-c2ncncn2)cc(-c2ncncn2)c1
InChIInChI=1S/C13H9N7O/c14-11(21)8-1-9(12-17-4-15-5-18-12)3-10(2-8)13-19-6-16-7-20-13/h1-7H,(H2,14,21)
InChIKeyOWYWNKPRMWWEOA-UHFFFAOYSA-N
XLogP0.49
TPSA120.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(1,3,5-triazin-2-yl)benzamide?
The IUPAC name of 3,5-bis(1,3,5-triazin-2-yl)benzamide (CID 68557483) is 3,5-bis(1,3,5-triazin-2-yl)benzamide.
What is the SMILES notation for 3,5-bis(1,3,5-triazin-2-yl)benzamide?
The canonical SMILES for 3,5-bis(1,3,5-triazin-2-yl)benzamide is NC(=O)c1cc(-c2ncncn2)cc(-c2ncncn2)c1.
What is the InChIKey of 3,5-bis(1,3,5-triazin-2-yl)benzamide?
The InChIKey is OWYWNKPRMWWEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N7O/c14-11(21)8-1-9(12-17-4-15-5-18-12)3-10(2-8)13-19-6-16-7-20-13/h1-7H,(H2,14,21).
What are the key properties of 3,5-bis(1,3,5-triazin-2-yl)benzamide?
3,5-bis(1,3,5-triazin-2-yl)benzamide has a molecular weight of 279.26 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(1,3,5-triazin-2-yl)benzamide is sourced from PubChem (CID 68557483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).