1-(2-methoxyethyl)-5-(2-methoxyphenyl)triazole-4-carboxylic acid

C13H15N3O4 — CID 102642652

IUPAC1-(2-methoxyethyl)-5-(2-methoxyphenyl)triazole-4-carboxylic acid
SMILESCOCCn1nnc(C(=O)O)c1-c1ccccc1OC
InChIInChI=1S/C13H15N3O4/c1-19-8-7-16-12(11(13(17)18)14-15-16)9-5-3-4-6-10(9)20-2/h3-6H,7-8H2,1-2H3,(H,17,18)
InChIKeyHUWKXNZGZHWRND-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.30
Rot. Bonds6

About 1-(2-methoxyethyl)-5-(2-methoxyphenyl)triazole-4-carboxylic acid

1-(2-methoxyethyl)-5-(2-methoxyphenyl)triazole-4-carboxylic acid (PubChem CID 102642652) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-(2-methoxyphenyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-(2-methoxyphenyl)triazole-4-carboxylic acid
PubChem CID102642652
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name1-(2-methoxyethyl)-5-(2-methoxyphenyl)triazole-4-carboxylic acid
SMILESCOCCn1nnc(C(=O)O)c1-c1ccccc1OC
InChIInChI=1S/C13H15N3O4/c1-19-8-7-16-12(11(13(17)18)14-15-16)9-5-3-4-6-10(9)20-2/h3-6H,7-8H2,1-2H3,(H,17,18)
InChIKeyHUWKXNZGZHWRND-UHFFFAOYSA-N
XLogP1.30
TPSA86.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-ethoxyethyl)-5-(2-methoxyphenyl)triazole-4-carboxylic acid
CID 102642660
1-(2,3-dihydroxypropyl)-5-(2-methoxyphenyl)triazole-4-carboxylic acid
CID 82210196
5-(2-methoxyphenyl)-1-propan-2-yltriazole-4-carboxylic acid
CID 82206744
1-(4-methoxybutyl)-5-phenyltriazole-4-carboxylic acid
CID 102642587
5-(2-methoxyphenyl)-1-(oxolan-3-yl)triazole-4-carboxylic acid
CID 102642654
5-(2-bromophenyl)-1-propyltriazole-4-carboxylic acid
CID 94943882
5-(2-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxylic acid
CID 94940466
1-(3-fluorophenyl)-5-(2-methoxyphenyl)triazole-4-carboxylic acid
CID 94940465
1-[2-(2-methylpropoxy)ethyl]-5-phenyltriazole-4-carboxylic acid
CID 106456308
[1-heptyl-5-(2-methoxyphenyl)triazol-4-yl]methanol
CID 82208051
2-[4-(aminomethyl)-5-(2-methoxyphenyl)triazol-1-yl]ethanol
CID 82210106
1-(2-methoxyethyl)-4,5-dihydrobenzo[g]indazole-3-carboxylic acid
CID 28916964

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-(2-methoxyphenyl)triazole-4-carboxylic acid?
The IUPAC name of 1-(2-methoxyethyl)-5-(2-methoxyphenyl)triazole-4-carboxylic acid (CID 102642652) is 1-(2-methoxyethyl)-5-(2-methoxyphenyl)triazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyethyl)-5-(2-methoxyphenyl)triazole-4-carboxylic acid?
The canonical SMILES for 1-(2-methoxyethyl)-5-(2-methoxyphenyl)triazole-4-carboxylic acid is COCCn1nnc(C(=O)O)c1-c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyethyl)-5-(2-methoxyphenyl)triazole-4-carboxylic acid?
The InChIKey is HUWKXNZGZHWRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-19-8-7-16-12(11(13(17)18)14-15-16)9-5-3-4-6-10(9)20-2/h3-6H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 1-(2-methoxyethyl)-5-(2-methoxyphenyl)triazole-4-carboxylic acid?
1-(2-methoxyethyl)-5-(2-methoxyphenyl)triazole-4-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-(2-methoxyphenyl)triazole-4-carboxylic acid is sourced from PubChem (CID 102642652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).