[(2-methoxy-4-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine

C12H17N5O — CID 106794066

IUPAC[(2-methoxy-4-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
SMILESCOc1cc(C)ccc1C(NN)c1cnnn1C
InChIInChI=1S/C12H17N5O/c1-8-4-5-9(11(6-8)18-3)12(15-13)10-7-14-16-17(10)2/h4-7,12,15H,13H2,1-3H3
InChIKeyGUEGWFANPYAKMS-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.68
Rot. Bonds4

About [(2-methoxy-4-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine

[(2-methoxy-4-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine (PubChem CID 106794066) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is [(2-methoxy-4-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-methoxy-4-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
PubChem CID106794066
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name[(2-methoxy-4-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
SMILESCOc1cc(C)ccc1C(NN)c1cnnn1C
InChIInChI=1S/C12H17N5O/c1-8-4-5-9(11(6-8)18-3)12(15-13)10-7-14-16-17(10)2/h4-7,12,15H,13H2,1-3H3
InChIKeyGUEGWFANPYAKMS-UHFFFAOYSA-N
XLogP0.68
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.68
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-bromo-3-methyltriazol-4-yl)-(2-methoxy-4-methylphenyl)methyl]hydrazine
CID 106793911
[(3,5-dimethylphenyl)-(2-methoxy-4-methylphenyl)methyl]hydrazine
CID 106793854
[(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337530
3-[hydrazinyl-(2-methoxy-4-methylphenyl)methyl]-5-methylpyridin-2-amine
CID 106793879
[(5-bromo-2-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337546
[(3-methyltriazol-4-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196426
[(4-fluorophenyl)-(2-methoxy-4-methylphenyl)methyl]hydrazine
CID 106793771
[(2-bromo-5-fluorophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337670
[(2-methoxy-4-methylphenyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 106793733
[(4-methylthiophen-3-yl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105251742
[(4-ethylphenyl)-(2-methoxy-4-methylphenyl)methyl]hydrazine
CID 106794120
[(2-methylpyrazol-3-yl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337508

Frequently Asked Questions

What is the IUPAC name of [(2-methoxy-4-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine?
The IUPAC name of [(2-methoxy-4-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine (CID 106794066) is [(2-methoxy-4-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(2-methoxy-4-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(2-methoxy-4-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine is COc1cc(C)ccc1C(NN)c1cnnn1C.
What is the InChIKey of [(2-methoxy-4-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine?
The InChIKey is GUEGWFANPYAKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8-4-5-9(11(6-8)18-3)12(15-13)10-7-14-16-17(10)2/h4-7,12,15H,13H2,1-3H3.
What are the key properties of [(2-methoxy-4-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine?
[(2-methoxy-4-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine has a molecular weight of 247.30 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methoxy-4-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 106794066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).