6-(4-methoxyphenyl)-1,2,4-triazine-3-carboxylic acid

C11H9N3O3 — CID 82390734

IUPAC6-(4-methoxyphenyl)-1,2,4-triazine-3-carboxylic acid
SMILESCOc1ccc(-c2cnc(C(=O)O)nn2)cc1
InChIInChI=1S/C11H9N3O3/c1-17-8-4-2-7(3-5-8)9-6-12-10(11(15)16)14-13-9/h2-6H,1H3,(H,15,16)
InChIKeyBJUNMFQTVFTXCS-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.25
Rot. Bonds3

About 6-(4-methoxyphenyl)-1,2,4-triazine-3-carboxylic acid

6-(4-methoxyphenyl)-1,2,4-triazine-3-carboxylic acid (PubChem CID 82390734) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-1,2,4-triazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-1,2,4-triazine-3-carboxylic acid
PubChem CID82390734
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name6-(4-methoxyphenyl)-1,2,4-triazine-3-carboxylic acid
SMILESCOc1ccc(-c2cnc(C(=O)O)nn2)cc1
InChIInChI=1S/C11H9N3O3/c1-17-8-4-2-7(3-5-8)9-6-12-10(11(15)16)14-13-9/h2-6H,1H3,(H,15,16)
InChIKeyBJUNMFQTVFTXCS-UHFFFAOYSA-N
XLogP1.25
TPSA85.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methoxyphenyl)pyridazine-4-carboxylic acid
CID 121205221
5-(4-methoxyphenyl)pyridine-2-carboxylic acid
CID 52983912
methyl 5-(4-methoxyphenyl)pyrazine-2-carboxylate
CID 91754327
6-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazine
CID 171920546
6-(4-methoxyphenyl)pyridine-2,3-dicarboxylic acid
CID 16637669
3-(4-methoxyphenyl)quinoxaline-6-carboxamide
CID 15906060
2-[4-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyrimidine-6-carboxylic acid
CID 83779274
6-(4-methoxyphenyl)pyridin-3-ol
CID 53229210
2-methoxy-5-(4-methoxyphenyl)pyridine-3-carboxylic acid
CID 53222794
2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxylic acid
CID 30031621
2-(4-methoxyphenyl)-5-propoxypyridine-4-carboxylic acid
CID 132588963
3-(3-bromophenyl)-6-(4-methoxyphenyl)-1,2,4-triazine
CID 156613211

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-1,2,4-triazine-3-carboxylic acid?
The IUPAC name of 6-(4-methoxyphenyl)-1,2,4-triazine-3-carboxylic acid (CID 82390734) is 6-(4-methoxyphenyl)-1,2,4-triazine-3-carboxylic acid.
What is the SMILES notation for 6-(4-methoxyphenyl)-1,2,4-triazine-3-carboxylic acid?
The canonical SMILES for 6-(4-methoxyphenyl)-1,2,4-triazine-3-carboxylic acid is COc1ccc(-c2cnc(C(=O)O)nn2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-1,2,4-triazine-3-carboxylic acid?
The InChIKey is BJUNMFQTVFTXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c1-17-8-4-2-7(3-5-8)9-6-12-10(11(15)16)14-13-9/h2-6H,1H3,(H,15,16).
What are the key properties of 6-(4-methoxyphenyl)-1,2,4-triazine-3-carboxylic acid?
6-(4-methoxyphenyl)-1,2,4-triazine-3-carboxylic acid has a molecular weight of 231.21 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-1,2,4-triazine-3-carboxylic acid is sourced from PubChem (CID 82390734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).