[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine

C13H25N7 — CID 105250047

IUPAC[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCC(C)n1ncnc1CC(NN)C1CN2CCN1CC2
InChIInChI=1S/C13H25N7/c1-10(2)20-13(15-9-16-20)7-11(17-14)12-8-18-3-5-19(12)6-4-18/h9-12,17H,3-8,14H2,1-2H3
InChIKeyURUZKSMTRHSDQI-UHFFFAOYSA-N
MW279.39 g/mol
LogP-0.77
Rot. Bonds5

About [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine

[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine (PubChem CID 105250047) has the molecular formula C13H25N7 and a molecular weight of 279.39 g/mol. Its IUPAC name is [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
PubChem CID105250047
Molecular FormulaC13H25N7
Molecular Weight279.39 g/mol
Exact Mass279.22
IUPAC Name[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCC(C)n1ncnc1CC(NN)C1CN2CCN1CC2
InChIInChI=1S/C13H25N7/c1-10(2)20-13(15-9-16-20)7-11(17-14)12-8-18-3-5-19(12)6-4-18/h9-12,17H,3-8,14H2,1-2H3
InChIKeyURUZKSMTRHSDQI-UHFFFAOYSA-N
XLogP-0.77
TPSA75.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 79974509
[1-(4,4-difluorocyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105317373
[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiolan-3-yl)ethyl]hydrazine
CID 105317428
[1-(oxolan-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105229160
[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105249872
[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105250055
[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-ethylphenyl)ethyl]hydrazine
CID 105249842
[1-methylsulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105214004
[3,3-dimethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine
CID 105317424
[1-methylsulfonyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105317418
[1,1-dimethoxy-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105246125
[3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 105247050

Frequently Asked Questions

What is the IUPAC name of [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine (CID 105250047) is [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine is CC(C)n1ncnc1CC(NN)C1CN2CCN1CC2.
What is the InChIKey of [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The InChIKey is URUZKSMTRHSDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N7/c1-10(2)20-13(15-9-16-20)7-11(17-14)12-8-18-3-5-19(12)6-4-18/h9-12,17H,3-8,14H2,1-2H3.
What are the key properties of [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine?
[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine has a molecular weight of 279.39 g/mol, XLogP of -0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105250047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).