1-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]-1,2,4-triazole

C15H19N3O2 — CID 2199762

IUPAC1-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]-1,2,4-triazole
SMILESC/C=C\c1ccc(OCCCn2cncn2)c(OC)c1
InChIInChI=1S/C15H19N3O2/c1-3-5-13-6-7-14(15(10-13)19-2)20-9-4-8-18-12-16-11-17-18/h3,5-7,10-12H,4,8-9H2,1-2H3/b5-3-
InChIKeyZNGXROVHYHXUOB-HYXAFXHYSA-N
MW273.34 g/mol
LogP2.79
Rot. Bonds7

About 1-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]-1,2,4-triazole

1-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]-1,2,4-triazole (PubChem CID 2199762) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]-1,2,4-triazole
PubChem CID2199762
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]-1,2,4-triazole
SMILESC/C=C\c1ccc(OCCCn2cncn2)c(OC)c1
InChIInChI=1S/C15H19N3O2/c1-3-5-13-6-7-14(15(10-13)19-2)20-9-4-8-18-12-16-11-17-18/h3,5-7,10-12H,4,8-9H2,1-2H3/b5-3-
InChIKeyZNGXROVHYHXUOB-HYXAFXHYSA-N
XLogP2.79
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,6-dimethylbenzimidazole
CID 2232290
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine
CID 62582661
1-[3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enyl]-1,2,4-triazole
CID 54462295
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 888309
1-[3-(2-methoxy-4-prop-1-enylphenoxy)propyl]benzimidazole;oxalic acid
CID 2966036
1-[4-(4-fluorophenoxy)butoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene
CID 2292081
1,2-bis(methoxymethoxy)-4-[(E)-prop-1-enyl]benzene
CID 58923294
4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]morpholine
CID 58923296
1-[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]ethyl]-1,2,4-triazole
CID 2199939
2-methoxy-1-[4-(2-propan-2-yloxyphenoxy)butoxy]-4-prop-1-enylbenzene
CID 2898461
1-benzyl-4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]piperazine
CID 2232243
3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]quinazolin-4-one
CID 973373

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]-1,2,4-triazole?
The IUPAC name of 1-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]-1,2,4-triazole (CID 2199762) is 1-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]-1,2,4-triazole.
What is the SMILES notation for 1-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]-1,2,4-triazole?
The canonical SMILES for 1-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]-1,2,4-triazole is C/C=C\c1ccc(OCCCn2cncn2)c(OC)c1.
What is the InChIKey of 1-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]-1,2,4-triazole?
The InChIKey is ZNGXROVHYHXUOB-HYXAFXHYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-5-13-6-7-14(15(10-13)19-2)20-9-4-8-18-12-16-11-17-18/h3,5-7,10-12H,4,8-9H2,1-2H3/b5-3-.
What are the key properties of 1-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]-1,2,4-triazole?
1-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]-1,2,4-triazole has a molecular weight of 273.34 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]-1,2,4-triazole is sourced from PubChem (CID 2199762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).