5-(1,3,5-triazin-2-ylamino)benzene-1,3-dicarboxylic acid

C11H8N4O4 — CID 151768801

IUPAC5-(1,3,5-triazin-2-ylamino)benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cc(Nc2ncncn2)cc(C(=O)O)c1
InChIInChI=1S/C11H8N4O4/c16-9(17)6-1-7(10(18)19)3-8(2-6)15-11-13-4-12-5-14-11/h1-5H,(H,16,17)(H,18,19)(H,12,13,14,15)
InChIKeyRSDUQYSHUMMJGH-UHFFFAOYSA-N
MW260.21 g/mol
LogP1.01
Rot. Bonds4

About 5-(1,3,5-triazin-2-ylamino)benzene-1,3-dicarboxylic acid

5-(1,3,5-triazin-2-ylamino)benzene-1,3-dicarboxylic acid (PubChem CID 151768801) has the molecular formula C11H8N4O4 and a molecular weight of 260.21 g/mol. Its IUPAC name is 5-(1,3,5-triazin-2-ylamino)benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-(1,3,5-triazin-2-ylamino)benzene-1,3-dicarboxylic acid
PubChem CID151768801
Molecular FormulaC11H8N4O4
Molecular Weight260.21 g/mol
Exact Mass260.05
IUPAC Name5-(1,3,5-triazin-2-ylamino)benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cc(Nc2ncncn2)cc(C(=O)O)c1
InChIInChI=1S/C11H8N4O4/c16-9(17)6-1-7(10(18)19)3-8(2-6)15-11-13-4-12-5-14-11/h1-5H,(H,16,17)(H,18,19)(H,12,13,14,15)
InChIKeyRSDUQYSHUMMJGH-UHFFFAOYSA-N
XLogP1.01
TPSA125.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,3,5-triazin-2-ylamino)benzoic acid
CID 54070547
5-(4-hydroxyanilino)benzene-1,3-dicarboxylic acid
CID 118352492
5-(quinazolin-4-ylamino)benzene-1,3-dicarboxylic acid
CID 21002389
5-(carboxyamino)benzene-1,3-dicarboxylic acid
CID 18974712
4-(1,3,5-triazin-2-yl)benzoic acid
CID 21314401
benzene-1,3,5-tricarboxylic acid;vanadium
CID 166458102
benzene-1,3,5-tricarboxylic acid;europium
CID 172691407
azane;benzene-1,3,5-tricarboxylic acid
CID 172833509
tris(benzene-1,3,5-tricarboxylic acid);trihydrochloride
CID 66646410
N-pyridin-4-yl-1,3,5-triazin-2-amine
CID 123186486
5-[(5-amino-4-methyl-2-pyridinyl)amino]benzene-1,3-dicarboxylic acid
CID 82061059
5-[[4,6-bis[2-(methanesulfonamido)ethylamino]-1,3,5-triazin-2-yl]amino]benzene-1,3-dicarboxylic acid
CID 90253652

Frequently Asked Questions

What is the IUPAC name of 5-(1,3,5-triazin-2-ylamino)benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-(1,3,5-triazin-2-ylamino)benzene-1,3-dicarboxylic acid (CID 151768801) is 5-(1,3,5-triazin-2-ylamino)benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-(1,3,5-triazin-2-ylamino)benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-(1,3,5-triazin-2-ylamino)benzene-1,3-dicarboxylic acid is O=C(O)c1cc(Nc2ncncn2)cc(C(=O)O)c1.
What is the InChIKey of 5-(1,3,5-triazin-2-ylamino)benzene-1,3-dicarboxylic acid?
The InChIKey is RSDUQYSHUMMJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O4/c16-9(17)6-1-7(10(18)19)3-8(2-6)15-11-13-4-12-5-14-11/h1-5H,(H,16,17)(H,18,19)(H,12,13,14,15).
What are the key properties of 5-(1,3,5-triazin-2-ylamino)benzene-1,3-dicarboxylic acid?
5-(1,3,5-triazin-2-ylamino)benzene-1,3-dicarboxylic acid has a molecular weight of 260.21 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3,5-triazin-2-ylamino)benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 151768801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).