5-anilinotriazine-4-carboxylic acid

C10H8N4O2 — CID 70523578

IUPAC5-anilinotriazine-4-carboxylic acid
SMILESO=C(O)c1nnncc1Nc1ccccc1
InChIInChI=1S/C10H8N4O2/c15-10(16)9-8(6-11-14-13-9)12-7-4-2-1-3-5-7/h1-6H,(H,12,14)(H,15,16)
InChIKeyCXFAPOXORCLZRN-UHFFFAOYSA-N
MW216.20 g/mol
LogP1.31
Rot. Bonds3

About 5-anilinotriazine-4-carboxylic acid

5-anilinotriazine-4-carboxylic acid (PubChem CID 70523578) has the molecular formula C10H8N4O2 and a molecular weight of 216.20 g/mol. Its IUPAC name is 5-anilinotriazine-4-carboxylic acid.

Molecular Properties

Compound Name5-anilinotriazine-4-carboxylic acid
PubChem CID70523578
Molecular FormulaC10H8N4O2
Molecular Weight216.20 g/mol
Exact Mass216.06
IUPAC Name5-anilinotriazine-4-carboxylic acid
SMILESO=C(O)c1nnncc1Nc1ccccc1
InChIInChI=1S/C10H8N4O2/c15-10(16)9-8(6-11-14-13-9)12-7-4-2-1-3-5-7/h1-6H,(H,12,14)(H,15,16)
InChIKeyCXFAPOXORCLZRN-UHFFFAOYSA-N
XLogP1.31
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-anilinotriazine-4-carboxylic acid?
The IUPAC name of 5-anilinotriazine-4-carboxylic acid (CID 70523578) is 5-anilinotriazine-4-carboxylic acid.
What is the SMILES notation for 5-anilinotriazine-4-carboxylic acid?
The canonical SMILES for 5-anilinotriazine-4-carboxylic acid is O=C(O)c1nnncc1Nc1ccccc1.
What is the InChIKey of 5-anilinotriazine-4-carboxylic acid?
The InChIKey is CXFAPOXORCLZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2/c15-10(16)9-8(6-11-14-13-9)12-7-4-2-1-3-5-7/h1-6H,(H,12,14)(H,15,16).
What are the key properties of 5-anilinotriazine-4-carboxylic acid?
5-anilinotriazine-4-carboxylic acid has a molecular weight of 216.20 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilinotriazine-4-carboxylic acid is sourced from PubChem (CID 70523578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).