[1-propan-2-yloxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine

C11H23N5O — CID 105319094

IUPAC[1-propan-2-yloxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
SMILESCCCn1ncnc1CC(COC(C)C)NN
InChIInChI=1S/C11H23N5O/c1-4-5-16-11(13-8-14-16)6-10(15-12)7-17-9(2)3/h8-10,15H,4-7,12H2,1-3H3
InChIKeyMLWKCXRCALCVCS-UHFFFAOYSA-N
MW241.34 g/mol
LogP0.49
Rot. Bonds8

About [1-propan-2-yloxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine

[1-propan-2-yloxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine (PubChem CID 105319094) has the molecular formula C11H23N5O and a molecular weight of 241.34 g/mol. Its IUPAC name is [1-propan-2-yloxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-propan-2-yloxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
PubChem CID105319094
Molecular FormulaC11H23N5O
Molecular Weight241.34 g/mol
Exact Mass241.19
IUPAC Name[1-propan-2-yloxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
SMILESCCCn1ncnc1CC(COC(C)C)NN
InChIInChI=1S/C11H23N5O/c1-4-5-16-11(13-8-14-16)6-10(15-12)7-17-9(2)3/h8-10,15H,4-7,12H2,1-3H3
InChIKeyMLWKCXRCALCVCS-UHFFFAOYSA-N
XLogP0.49
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 50.49
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

[4-methoxy-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 105206476
[1-(2-propyl-1,2,4-triazol-3-yl)-3-thiophen-2-ylpropan-2-yl]hydrazine
CID 105211942
[4-(2-methoxyethoxy)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 102929979
[1-(2-ethyl-1,2,4-triazol-3-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 105318623
[1-(4-fluorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105236753
[1-(3-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105204839
[1-(3-methoxyphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105205278
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ylhydrazine
CID 105201026
N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-amine
CID 79411663
1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-ylhydrazine
CID 105245744
[1-ethoxy-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105235263
[1-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105199354

Frequently Asked Questions

What is the IUPAC name of [1-propan-2-yloxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-propan-2-yloxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine (CID 105319094) is [1-propan-2-yloxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-propan-2-yloxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-propan-2-yloxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine is CCCn1ncnc1CC(COC(C)C)NN.
What is the InChIKey of [1-propan-2-yloxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine?
The InChIKey is MLWKCXRCALCVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O/c1-4-5-16-11(13-8-14-16)6-10(15-12)7-17-9(2)3/h8-10,15H,4-7,12H2,1-3H3.
What are the key properties of [1-propan-2-yloxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine?
[1-propan-2-yloxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine has a molecular weight of 241.34 g/mol, XLogP of 0.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-propan-2-yloxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105319094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).