4-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-2-methoxybenzoic acid

C13H14N4O4 — CID 107208712

IUPAC4-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-2-methoxybenzoic acid
SMILESCCc1nc(C(=O)Nc2ccc(C(=O)O)c(OC)c2)n[nH]1
InChIInChI=1S/C13H14N4O4/c1-3-10-15-11(17-16-10)12(18)14-7-4-5-8(13(19)20)9(6-7)21-2/h4-6H,3H2,1-2H3,(H,14,18)(H,19,20)(H,15,16,17)
InChIKeyZRUAMFFWNFURIE-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.33
Rot. Bonds5

About 4-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-2-methoxybenzoic acid

4-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-2-methoxybenzoic acid (PubChem CID 107208712) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 4-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-2-methoxybenzoic acid
PubChem CID107208712
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name4-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-2-methoxybenzoic acid
SMILESCCc1nc(C(=O)Nc2ccc(C(=O)O)c(OC)c2)n[nH]1
InChIInChI=1S/C13H14N4O4/c1-3-10-15-11(17-16-10)12(18)14-7-4-5-8(13(19)20)9(6-7)21-2/h4-6H,3H2,1-2H3,(H,14,18)(H,19,20)(H,15,16,17)
InChIKeyZRUAMFFWNFURIE-UHFFFAOYSA-N
XLogP1.33
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-3-methoxyphenyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 82858724
N-(4-bromo-3-methoxyphenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 82861102
4-[(4-fluorobenzoyl)amino]-2-methoxybenzoic acid
CID 107208628
4-(carbamoylamino)-2-methoxybenzoic acid
CID 107208856
2-methoxy-4-[(4-methylbenzoyl)amino]benzoic acid
CID 107208693
4-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-2-methoxybenzoic acid
CID 136546905
2-methoxy-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid
CID 107208827
4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-methoxybenzoic acid
CID 107209438
5-tert-butyl-N-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazole-3-carboxamide
CID 114840576
4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methoxybenzoic acid
CID 107208052
5-tert-butyl-N-(4-chloro-3-methoxyphenyl)-1H-1,2,4-triazole-3-carboxamide
CID 107622808
2-methoxy-4-[(2-methylsulfonylacetyl)amino]benzoic acid
CID 107208815

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-2-methoxybenzoic acid?
The IUPAC name of 4-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-2-methoxybenzoic acid (CID 107208712) is 4-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-2-methoxybenzoic acid.
What is the SMILES notation for 4-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-2-methoxybenzoic acid?
The canonical SMILES for 4-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-2-methoxybenzoic acid is CCc1nc(C(=O)Nc2ccc(C(=O)O)c(OC)c2)n[nH]1.
What is the InChIKey of 4-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-2-methoxybenzoic acid?
The InChIKey is ZRUAMFFWNFURIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-3-10-15-11(17-16-10)12(18)14-7-4-5-8(13(19)20)9(6-7)21-2/h4-6H,3H2,1-2H3,(H,14,18)(H,19,20)(H,15,16,17).
What are the key properties of 4-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-2-methoxybenzoic acid?
4-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-2-methoxybenzoic acid has a molecular weight of 290.28 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-2-methoxybenzoic acid is sourced from PubChem (CID 107208712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).