1-(4-methoxyphenyl)triazole-4-carboxylic acid

C10H9N3O3 — CID 10513054

IUPAC1-(4-methoxyphenyl)triazole-4-carboxylic acid
SMILESCOc1ccc(-n2cc(C(=O)O)nn2)cc1
InChIInChI=1S/C10H9N3O3/c1-16-8-4-2-7(3-5-8)13-6-9(10(14)15)11-12-13/h2-6H,1H3,(H,14,15)
InChIKeyIZVRCSSLABTIOL-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.97
Rot. Bonds3

About 1-(4-methoxyphenyl)triazole-4-carboxylic acid

1-(4-methoxyphenyl)triazole-4-carboxylic acid (PubChem CID 10513054) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxyphenyl)triazole-4-carboxylic acid
PubChem CID10513054
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name1-(4-methoxyphenyl)triazole-4-carboxylic acid
SMILESCOc1ccc(-n2cc(C(=O)O)nn2)cc1
InChIInChI=1S/C10H9N3O3/c1-16-8-4-2-7(3-5-8)13-6-9(10(14)15)11-12-13/h2-6H,1H3,(H,14,15)
InChIKeyIZVRCSSLABTIOL-UHFFFAOYSA-N
XLogP0.97
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-butoxyphenyl)triazole-4-carboxylic acid
CID 82201477
N-benzyl-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 13413916
1-(2-fluoro-4-methoxyphenyl)triazole-4-carboxylic acid
CID 112708353
4-[4-(4-methoxyphenyl)triazol-1-yl]pyridine-2,6-dicarboxylic acid
CID 89482650
1-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide
CID 23610490
lithium;ethyl 1-(3-methoxyphenyl)triazole-4-carboxylate;1-(3-methoxyphenyl)triazole-4-carboxylic acid;hydroxide
CID 159859815
ethane;1-(4-methoxyphenyl)-4-methyltriazole
CID 143999618
[1-(4-methoxyphenyl)triazol-4-yl]methyl acetate
CID 11413946
2-(4-methoxyphenyl)-2-[4-(1-phenyltriazole-4-carbonyl)piperazin-1-yl]acetonitrile
CID 78861545
methyl 1-(4-aminophenyl)triazole-4-carboxylate
CID 28819360
1-(2-methyl-1,3-benzothiazol-6-yl)triazole-4-carboxylic acid
CID 12949080
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 138025561

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)triazole-4-carboxylic acid?
The IUPAC name of 1-(4-methoxyphenyl)triazole-4-carboxylic acid (CID 10513054) is 1-(4-methoxyphenyl)triazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-methoxyphenyl)triazole-4-carboxylic acid?
The canonical SMILES for 1-(4-methoxyphenyl)triazole-4-carboxylic acid is COc1ccc(-n2cc(C(=O)O)nn2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)triazole-4-carboxylic acid?
The InChIKey is IZVRCSSLABTIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-16-8-4-2-7(3-5-8)13-6-9(10(14)15)11-12-13/h2-6H,1H3,(H,14,15).
What are the key properties of 1-(4-methoxyphenyl)triazole-4-carboxylic acid?
1-(4-methoxyphenyl)triazole-4-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)triazole-4-carboxylic acid is sourced from PubChem (CID 10513054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).