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

C13H19N5O — CID 105204984

IUPAC[1-(2-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
SMILESCOc1ccccc1CC(Cc1ncnn1C)NN
InChIInChI=1S/C13H19N5O/c1-18-13(15-9-16-18)8-11(17-14)7-10-5-3-4-6-12(10)19-2/h3-6,9,11,17H,7-8,14H2,1-2H3
InChIKeyDJBPPMHBEPDQCL-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.44
Rot. Bonds6

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

[1-(2-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine (PubChem CID 105204984) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is [1-(2-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
PubChem CID105204984
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name[1-(2-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
SMILESCOc1ccccc1CC(Cc1ncnn1C)NN
InChIInChI=1S/C13H19N5O/c1-18-13(15-9-16-18)8-11(17-14)7-10-5-3-4-6-12(10)19-2/h3-6,9,11,17H,7-8,14H2,1-2H3
InChIKeyDJBPPMHBEPDQCL-UHFFFAOYSA-N
XLogP0.44
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.44
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

[1-(2-methyl-1,2,4-triazol-3-yl)-3-naphthalen-1-ylpropan-2-yl]hydrazine
CID 105316461
[1-(3-chloro-2-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105264351
[1-(2,6-dichlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105209742
[4-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine
CID 103025371
1-(2,6-dimethoxyphenyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997696
[4-ethyl-1-(2-methoxyphenyl)hexan-2-yl]hydrazine
CID 105205098
[2-(2-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
CID 105204926
[1-ethylsulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105225311
[1-(2-methoxyphenyl)-5,5-dimethylhexan-2-yl]hydrazine
CID 105205034
[1-(2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 105289511
[1-(3,5-difluorophenyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 105206803
[1-(3-chloro-4-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 105205014

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-(2-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine (CID 105204984) is [1-(2-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(2-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine is COc1ccccc1CC(Cc1ncnn1C)NN.
What is the InChIKey of [1-(2-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine?
The InChIKey is DJBPPMHBEPDQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-18-13(15-9-16-18)8-11(17-14)7-10-5-3-4-6-12(10)19-2/h3-6,9,11,17H,7-8,14H2,1-2H3.
What are the key properties of [1-(2-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine?
[1-(2-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine has a molecular weight of 261.33 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105204984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).