[7-oxabicyclo[2.2.1]heptan-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine

C12H21N5O — CID 105221602

IUPAC[7-oxabicyclo[2.2.1]heptan-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine
SMILESCCCn1nncc1C(NN)C1CC2CCC1O2
InChIInChI=1S/C12H21N5O/c1-2-5-17-10(7-14-16-17)12(15-13)9-6-8-3-4-11(9)18-8/h7-9,11-12,15H,2-6,13H2,1H3
InChIKeyWMMMZXFKXOAGDN-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.76
Rot. Bonds5

About [7-oxabicyclo[2.2.1]heptan-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine

[7-oxabicyclo[2.2.1]heptan-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine (PubChem CID 105221602) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is [7-oxabicyclo[2.2.1]heptan-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[7-oxabicyclo[2.2.1]heptan-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine
PubChem CID105221602
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name[7-oxabicyclo[2.2.1]heptan-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine
SMILESCCCn1nncc1C(NN)C1CC2CCC1O2
InChIInChI=1S/C12H21N5O/c1-2-5-17-10(7-14-16-17)12(15-13)9-6-8-3-4-11(9)18-8/h7-9,11-12,15H,2-6,13H2,1H3
InChIKeyWMMMZXFKXOAGDN-UHFFFAOYSA-N
XLogP0.76
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.76
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

[(2-methylcyclopentyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 107194750
[cyclooctyl-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105255083
[(4-propylcyclohexyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105232238
[2-cyclopropyl-1-(3-propyltriazol-4-yl)propyl]hydrazine
CID 105335544
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105224717
[1,4-dithian-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105249262
N-[(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687454
[(2,3-difluoro-4-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine
CID 107516382
N-[cyclohexyl-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687200
[(2-methylcyclopropyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105234801
1-(2,2-dimethylcyclohexyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 107190904
(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanamine
CID 105038890

Frequently Asked Questions

What is the IUPAC name of [7-oxabicyclo[2.2.1]heptan-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine?
The IUPAC name of [7-oxabicyclo[2.2.1]heptan-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine (CID 105221602) is [7-oxabicyclo[2.2.1]heptan-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [7-oxabicyclo[2.2.1]heptan-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine?
The canonical SMILES for [7-oxabicyclo[2.2.1]heptan-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine is CCCn1nncc1C(NN)C1CC2CCC1O2.
What is the InChIKey of [7-oxabicyclo[2.2.1]heptan-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine?
The InChIKey is WMMMZXFKXOAGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-2-5-17-10(7-14-16-17)12(15-13)9-6-8-3-4-11(9)18-8/h7-9,11-12,15H,2-6,13H2,1H3.
What are the key properties of [7-oxabicyclo[2.2.1]heptan-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine?
[7-oxabicyclo[2.2.1]heptan-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine has a molecular weight of 251.33 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-oxabicyclo[2.2.1]heptan-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105221602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).