2-(5-ethoxy-4-methyl-1,2,4-triazol-3-yl)acetic acid

C7H11N3O3 — CID 83876511

IUPAC2-(5-ethoxy-4-methyl-1,2,4-triazol-3-yl)acetic acid
SMILESCCOc1nnc(CC(=O)O)n1C
InChIInChI=1S/C7H11N3O3/c1-3-13-7-9-8-5(10(7)2)4-6(11)12/h3-4H2,1-2H3,(H,11,12)
InChIKeyQMTRDHVJDBIDCO-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.16
Rot. Bonds4

About 2-(5-ethoxy-4-methyl-1,2,4-triazol-3-yl)acetic acid

2-(5-ethoxy-4-methyl-1,2,4-triazol-3-yl)acetic acid (PubChem CID 83876511) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-(5-ethoxy-4-methyl-1,2,4-triazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-ethoxy-4-methyl-1,2,4-triazol-3-yl)acetic acid
PubChem CID83876511
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name2-(5-ethoxy-4-methyl-1,2,4-triazol-3-yl)acetic acid
SMILESCCOc1nnc(CC(=O)O)n1C
InChIInChI=1S/C7H11N3O3/c1-3-13-7-9-8-5(10(7)2)4-6(11)12/h3-4H2,1-2H3,(H,11,12)
InChIKeyQMTRDHVJDBIDCO-UHFFFAOYSA-N
XLogP-0.16
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-tert-butyl-5-ethoxy-1,2,4-triazol-3-yl)methanol
CID 115396428
2-[1-methyl-5-(2-methylphenyl)imidazol-2-yl]acetic acid
CID 83850349
3-(bromomethyl)-5-ethoxy-4-ethyl-1,2,4-triazole
CID 115399488
2-(5-ethoxy-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 83880339
2-[1-methyl-5-(trifluoromethyl)imidazol-2-yl]acetic acid
CID 83848568
2-[4-(2-methylphenyl)-1,2,4-triazol-3-yl]acetic acid
CID 82393478
2-(2,5-diethoxy-4-methylphenyl)acetic acid
CID 4286018
2-(1-nonyltetrazol-5-yl)acetic acid
CID 162532459
3-(bromomethyl)-5-ethoxy-4-propan-2-yl-1,2,4-triazole
CID 115399000
(4-tert-butyl-5-ethoxy-1,2,4-triazol-3-yl)methanamine
CID 83880337
2-[5-ethoxy-1-(3-oxobutyl)benzimidazol-2-yl]acetic acid
CID 82334641
2-(5-cyclobutyl-1-methylimidazol-2-yl)acetic acid
CID 83847445

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-4-methyl-1,2,4-triazol-3-yl)acetic acid?
The IUPAC name of 2-(5-ethoxy-4-methyl-1,2,4-triazol-3-yl)acetic acid (CID 83876511) is 2-(5-ethoxy-4-methyl-1,2,4-triazol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-ethoxy-4-methyl-1,2,4-triazol-3-yl)acetic acid?
The canonical SMILES for 2-(5-ethoxy-4-methyl-1,2,4-triazol-3-yl)acetic acid is CCOc1nnc(CC(=O)O)n1C.
What is the InChIKey of 2-(5-ethoxy-4-methyl-1,2,4-triazol-3-yl)acetic acid?
The InChIKey is QMTRDHVJDBIDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-3-13-7-9-8-5(10(7)2)4-6(11)12/h3-4H2,1-2H3,(H,11,12).
What are the key properties of 2-(5-ethoxy-4-methyl-1,2,4-triazol-3-yl)acetic acid?
2-(5-ethoxy-4-methyl-1,2,4-triazol-3-yl)acetic acid has a molecular weight of 185.18 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-4-methyl-1,2,4-triazol-3-yl)acetic acid is sourced from PubChem (CID 83876511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).