[5-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine

C12H17N5O — CID 35754982

IUPAC[5-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine
SMILESCOc1cccc(CCc2nnc(NN)n2C)c1
InChIInChI=1S/C12H17N5O/c1-17-11(15-16-12(17)14-13)7-6-9-4-3-5-10(8-9)18-2/h3-5,8H,6-7,13H2,1-2H3,(H,14,16)
InChIKeyOYUBBCDUVONVGF-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.89
Rot. Bonds5

About [5-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine

[5-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine (PubChem CID 35754982) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is [5-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine.

Molecular Properties

Compound Name[5-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine
PubChem CID35754982
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name[5-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine
SMILESCOc1cccc(CCc2nnc(NN)n2C)c1
InChIInChI=1S/C12H17N5O/c1-17-11(15-16-12(17)14-13)7-6-9-4-3-5-10(8-9)18-2/h3-5,8H,6-7,13H2,1-2H3,(H,14,16)
InChIKeyOYUBBCDUVONVGF-UHFFFAOYSA-N
XLogP0.89
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine?
The IUPAC name of [5-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine (CID 35754982) is [5-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine.
What is the SMILES notation for [5-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine?
The canonical SMILES for [5-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine is COc1cccc(CCc2nnc(NN)n2C)c1.
What is the InChIKey of [5-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine?
The InChIKey is OYUBBCDUVONVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-17-11(15-16-12(17)14-13)7-6-9-4-3-5-10(8-9)18-2/h3-5,8H,6-7,13H2,1-2H3,(H,14,16).
What are the key properties of [5-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine?
[5-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine has a molecular weight of 247.30 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(3-methoxyphenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine is sourced from PubChem (CID 35754982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).