5-(2-methoxyphenyl)-3-prop-2-ynoxy-1H-1,2,4-triazole

C12H11N3O2 — CID 3307472

IUPAC5-(2-methoxyphenyl)-3-prop-2-ynoxy-1H-1,2,4-triazole
SMILESC#CCOc1n[nH]c(-c2ccccc2OC)n1
InChIInChI=1S/C12H11N3O2/c1-3-8-17-12-13-11(14-15-12)9-6-4-5-7-10(9)16-2/h1,4-7H,8H2,2H3,(H,13,14,15)
InChIKeyLYPWULAWMIVVED-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.49
Rot. Bonds4

About 5-(2-methoxyphenyl)-3-prop-2-ynoxy-1H-1,2,4-triazole

5-(2-methoxyphenyl)-3-prop-2-ynoxy-1H-1,2,4-triazole (PubChem CID 3307472) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-3-prop-2-ynoxy-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-3-prop-2-ynoxy-1H-1,2,4-triazole
PubChem CID3307472
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name5-(2-methoxyphenyl)-3-prop-2-ynoxy-1H-1,2,4-triazole
SMILESC#CCOc1n[nH]c(-c2ccccc2OC)n1
InChIInChI=1S/C12H11N3O2/c1-3-8-17-12-13-11(14-15-12)9-6-4-5-7-10(9)16-2/h1,4-7H,8H2,2H3,(H,13,14,15)
InChIKeyLYPWULAWMIVVED-UHFFFAOYSA-N
XLogP1.49
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenyl)-1H-imidazole-5-carbonitrile
CID 57438381
2-(2,6-dimethylphenoxy)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 55646062
2-(3,5-dimethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 13121469
methyl 2-(2-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445134
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxyacetamide
CID 60510860
2-[2-(2-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanamine
CID 82289193
2-chloro-8-(2-methoxyphenyl)-7H-purine
CID 24904038
2-[2-(2-methoxyphenyl)-1H-imidazol-5-yl]acetic acid
CID 82289480
2-(2-methoxy-4-prop-2-ynoxyphenyl)-3H-benzimidazole-5-carbonyl chloride
CID 88711769
5-(4-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-3-amine
CID 169499779
2-(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxylic acid
CID 121001392
2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 6457970

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-3-prop-2-ynoxy-1H-1,2,4-triazole?
The IUPAC name of 5-(2-methoxyphenyl)-3-prop-2-ynoxy-1H-1,2,4-triazole (CID 3307472) is 5-(2-methoxyphenyl)-3-prop-2-ynoxy-1H-1,2,4-triazole.
What is the SMILES notation for 5-(2-methoxyphenyl)-3-prop-2-ynoxy-1H-1,2,4-triazole?
The canonical SMILES for 5-(2-methoxyphenyl)-3-prop-2-ynoxy-1H-1,2,4-triazole is C#CCOc1n[nH]c(-c2ccccc2OC)n1.
What is the InChIKey of 5-(2-methoxyphenyl)-3-prop-2-ynoxy-1H-1,2,4-triazole?
The InChIKey is LYPWULAWMIVVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-3-8-17-12-13-11(14-15-12)9-6-4-5-7-10(9)16-2/h1,4-7H,8H2,2H3,(H,13,14,15).
What are the key properties of 5-(2-methoxyphenyl)-3-prop-2-ynoxy-1H-1,2,4-triazole?
5-(2-methoxyphenyl)-3-prop-2-ynoxy-1H-1,2,4-triazole has a molecular weight of 229.24 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-3-prop-2-ynoxy-1H-1,2,4-triazole is sourced from PubChem (CID 3307472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).