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

C10H9N5O3 — CID 146541140

IUPAC4-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzamide
SMILESNC(=O)c1ccc(Nc2nc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C10H9N5O3/c11-7(16)5-1-3-6(4-2-5)12-8-13-9(17)15-10(18)14-8/h1-4H,(H2,11,16)(H3,12,13,14,15,17,18)
InChIKeyFZUWVVRONMWSHJ-UHFFFAOYSA-N
MW247.21 g/mol
LogP-0.70
Rot. Bonds3

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

4-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzamide (PubChem CID 146541140) has the molecular formula C10H9N5O3 and a molecular weight of 247.21 g/mol. Its IUPAC name is 4-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzamide.

Molecular Properties

Compound Name4-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzamide
PubChem CID146541140
Molecular FormulaC10H9N5O3
Molecular Weight247.21 g/mol
Exact Mass247.07
IUPAC Name4-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzamide
SMILESNC(=O)c1ccc(Nc2nc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C10H9N5O3/c11-7(16)5-1-3-6(4-2-5)12-8-13-9(17)15-10(18)14-8/h1-4H,(H2,11,16)(H3,12,13,14,15,17,18)
InChIKeyFZUWVVRONMWSHJ-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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Related Compounds

4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzamide
CID 158659677
[4-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]phenyl]arsonic acid
CID 24833865
3-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzoic acid
CID 146541131
2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzamide
CID 146541481
6-(3-hydroxyanilino)-1H-1,3,5-triazine-2,4-dione
CID 45093594
2-(4-ethylanilino)-3H-benzimidazole-5-carboxamide
CID 101429158
6-[(2-oxo-3H-1-benzofuran-6-yl)amino]-1H-1,3,5-triazine-2,4-dione
CID 162017674
6-(4-carbamoylanilino)pyrazine-2-carboxylic acid
CID 66458122
4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide
CID 22245999
4-[(5-chloro-4-phenylpyrimidin-2-yl)amino]benzamide
CID 117073988
3-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
CID 175916852
4-[(5-amino-1,3,4-oxadiazol-2-yl)amino]benzamide
CID 103436486

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzamide?
The IUPAC name of 4-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzamide (CID 146541140) is 4-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzamide.
What is the SMILES notation for 4-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzamide?
The canonical SMILES for 4-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzamide is NC(=O)c1ccc(Nc2nc(=O)[nH]c(=O)[nH]2)cc1.
What is the InChIKey of 4-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzamide?
The InChIKey is FZUWVVRONMWSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O3/c11-7(16)5-1-3-6(4-2-5)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 4-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzamide?
4-[(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 4-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)amino]benzamide is sourced from PubChem (CID 146541140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).