2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzamide

C10H9N5O3 — CID 146541481

IUPAC2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzamide
SMILESNC(=O)c1ccccc1Nc1nc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H9N5O3/c11-7(16)5-3-1-2-4-6(5)12-8-13-9(17)15-10(18)14-8/h1-4H,(H2,11,16)(H3,12,13,14,15,17,18)
InChIKeyOOHQEGYPLMEJKQ-UHFFFAOYSA-N
MW247.21 g/mol
LogP-0.70
Rot. Bonds3

About 2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzamide

2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzamide (PubChem CID 146541481) has the molecular formula C10H9N5O3 and a molecular weight of 247.21 g/mol. Its IUPAC name is 2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzamide.

Molecular Properties

Compound Name2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzamide
PubChem CID146541481
Molecular FormulaC10H9N5O3
Molecular Weight247.21 g/mol
Exact Mass247.07
IUPAC Name2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzamide
SMILESNC(=O)c1ccccc1Nc1nc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H9N5O3/c11-7(16)5-3-1-2-4-6(5)12-8-13-9(17)15-10(18)14-8/h1-4H,(H2,11,16)(H3,12,13,14,15,17,18)
InChIKeyOOHQEGYPLMEJKQ-UHFFFAOYSA-N
XLogP-0.70
TPSA133.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzamide?
The IUPAC name of 2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzamide (CID 146541481) is 2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzamide.
What is the SMILES notation for 2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzamide?
The canonical SMILES for 2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzamide is NC(=O)c1ccccc1Nc1nc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzamide?
The InChIKey is OOHQEGYPLMEJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O3/c11-7(16)5-3-1-2-4-6(5)12-8-13-9(17)15-10(18)14-8/h1-4H,(H2,11,16)(H3,12,13,14,15,17,18).
What are the key properties of 2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzamide?
2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzamide has a molecular weight of 247.21 g/mol, XLogP of -0.70, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzamide is sourced from PubChem (CID 146541481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).