2-methoxy-3-(2H-triazol-4-yl)prop-2-enoic acid

C6H7N3O3 — CID 175281625

IUPAC2-methoxy-3-(2H-triazol-4-yl)prop-2-enoic acid
SMILESCOC(=Cc1cn[nH]n1)C(=O)O
InChIInChI=1S/C6H7N3O3/c1-12-5(6(10)11)2-4-3-7-9-8-4/h2-3H,1H3,(H,10,11)(H,7,8,9)
InChIKeyUHOUOALCUXRSJD-UHFFFAOYSA-N
MW169.14 g/mol
LogP-0.12
Rot. Bonds3

About 2-methoxy-3-(2H-triazol-4-yl)prop-2-enoic acid

2-methoxy-3-(2H-triazol-4-yl)prop-2-enoic acid (PubChem CID 175281625) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is 2-methoxy-3-(2H-triazol-4-yl)prop-2-enoic acid.

Molecular Properties

Compound Name2-methoxy-3-(2H-triazol-4-yl)prop-2-enoic acid
PubChem CID175281625
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name2-methoxy-3-(2H-triazol-4-yl)prop-2-enoic acid
SMILESCOC(=Cc1cn[nH]n1)C(=O)O
InChIInChI=1S/C6H7N3O3/c1-12-5(6(10)11)2-4-3-7-9-8-4/h2-3H,1H3,(H,10,11)(H,7,8,9)
InChIKeyUHOUOALCUXRSJD-UHFFFAOYSA-N
XLogP-0.12
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-methoxy-3-(2H-triazol-4-yl)prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1Z,4Z)-1,2,4,5-tetrakis(2H-triazol-4-yl)penta-1,4-dien-3-one
CID 70523912
CID 159805914
CID 159805914
europium;tris(2-methoxy-3-phenylprop-2-enoic acid)
CID 169448208
(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 15965811
methyl 3-oxo-3-(2H-triazol-4-yl)propanoate
CID 82652977
methyl 2-(2H-triazol-4-yl)propanoate
CID 70394798
2-methoxy-3-(2-methylphenyl)prop-2-enoic acid
CID 130704139
N,N-diethylethanamine;(Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoic acid
CID 173177567
3-(4-bromo-2,6-difluorophenyl)-2-methoxyprop-2-enoic acid
CID 69067420
(2S)-2-(methoxycarbonylamino)-3-(2H-triazol-4-yl)propanoic acid
CID 66648616
N-(3-methylbut-2-enyl)-2H-triazole-4-carboxamide
CID 103528182
methyl 6-(2H-triazole-4-carbonylamino)hexanoate
CID 47336093

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(2H-triazol-4-yl)prop-2-enoic acid?
The IUPAC name of 2-methoxy-3-(2H-triazol-4-yl)prop-2-enoic acid (CID 175281625) is 2-methoxy-3-(2H-triazol-4-yl)prop-2-enoic acid.
What is the SMILES notation for 2-methoxy-3-(2H-triazol-4-yl)prop-2-enoic acid?
The canonical SMILES for 2-methoxy-3-(2H-triazol-4-yl)prop-2-enoic acid is COC(=Cc1cn[nH]n1)C(=O)O.
What is the InChIKey of 2-methoxy-3-(2H-triazol-4-yl)prop-2-enoic acid?
The InChIKey is UHOUOALCUXRSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c1-12-5(6(10)11)2-4-3-7-9-8-4/h2-3H,1H3,(H,10,11)(H,7,8,9).
What are the key properties of 2-methoxy-3-(2H-triazol-4-yl)prop-2-enoic acid?
2-methoxy-3-(2H-triazol-4-yl)prop-2-enoic acid has a molecular weight of 169.14 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(2H-triazol-4-yl)prop-2-enoic acid is sourced from PubChem (CID 175281625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).