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

C12H17N5O — CID 35754981

IUPAC[5-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine
SMILESCOc1ccccc1CCc1nnc(NN)n1C
InChIInChI=1S/C12H17N5O/c1-17-11(15-16-12(17)14-13)8-7-9-5-3-4-6-10(9)18-2/h3-6H,7-8,13H2,1-2H3,(H,14,16)
InChIKeyPFALIAFMHSQAON-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.89
Rot. Bonds5

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

[5-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine (PubChem CID 35754981) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is [5-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine.

Molecular Properties

Compound Name[5-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine
PubChem CID35754981
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name[5-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine
SMILESCOc1ccccc1CCc1nnc(NN)n1C
InChIInChI=1S/C12H17N5O/c1-17-11(15-16-12(17)14-13)8-7-9-5-3-4-6-10(9)18-2/h3-6H,7-8,13H2,1-2H3,(H,14,16)
InChIKeyPFALIAFMHSQAON-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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Related Compounds

[5-(2,6-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]hydrazine
CID 35754947
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyphenyl)-N-methylmethanamine
CID 171130164
N-[(2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727584
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
2-[2-(2-methoxyphenyl)ethyl]phenol
CID 10775715
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
5-[2-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 6486679
[1-(2-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105204984
1-[2-(2-methoxyphenyl)ethyl]-2,5-dimethylpyrrole
CID 113219800
CID 88740626
CID 88740626
5-[(2-aminophenyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112597117
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111339888

Frequently Asked Questions

What is the IUPAC name of [5-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine?
The IUPAC name of [5-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine (CID 35754981) is [5-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine.
What is the SMILES notation for [5-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine?
The canonical SMILES for [5-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine is COc1ccccc1CCc1nnc(NN)n1C.
What is the InChIKey of [5-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine?
The InChIKey is PFALIAFMHSQAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-17-11(15-16-12(17)14-13)8-7-9-5-3-4-6-10(9)18-2/h3-6H,7-8,13H2,1-2H3,(H,14,16).
What are the key properties of [5-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine?
[5-[2-(2-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-(2-methoxyphenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine is sourced from PubChem (CID 35754981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).