[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiolan-3-yl)ethyl]hydrazine

C11H21N5S — CID 105317428

IUPAC[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiolan-3-yl)ethyl]hydrazine
SMILESCC(C)n1ncnc1CC(NN)C1CCSC1
InChIInChI=1S/C11H21N5S/c1-8(2)16-11(13-7-14-16)5-10(15-12)9-3-4-17-6-9/h7-10,15H,3-6,12H2,1-2H3
InChIKeyGHDJVHLHYVBOEL-UHFFFAOYSA-N
MW255.39 g/mol
LogP0.99
Rot. Bonds5

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

[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiolan-3-yl)ethyl]hydrazine (PubChem CID 105317428) has the molecular formula C11H21N5S and a molecular weight of 255.39 g/mol. Its IUPAC name is [2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiolan-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiolan-3-yl)ethyl]hydrazine
PubChem CID105317428
Molecular FormulaC11H21N5S
Molecular Weight255.39 g/mol
Exact Mass255.15
IUPAC Name[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiolan-3-yl)ethyl]hydrazine
SMILESCC(C)n1ncnc1CC(NN)C1CCSC1
InChIInChI=1S/C11H21N5S/c1-8(2)16-11(13-7-14-16)5-10(15-12)9-3-4-17-6-9/h7-10,15H,3-6,12H2,1-2H3
InChIKeyGHDJVHLHYVBOEL-UHFFFAOYSA-N
XLogP0.99
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 50.99
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-(4,4-difluorocyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105317373
[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-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105250047
3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol
CID 115813961
[2-(4-propan-2-ylphenyl)-1-(thiolan-3-yl)ethyl]hydrazine
CID 105297335
1-cyclobutyl-N-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 103168954
[1-methylsulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105214004
1-cyclobutyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 103170087
[3,3-dimethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine
CID 105317424
[2-(1-propylbenzimidazol-2-yl)-1-(thiolan-3-yl)ethyl]hydrazine
CID 105320892
[1-methylsulfonyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105317418
[2-(furan-3-yl)-1-(thiolan-3-yl)ethyl]hydrazine
CID 105331907

Frequently Asked Questions

What is the IUPAC name of [2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiolan-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiolan-3-yl)ethyl]hydrazine (CID 105317428) is [2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiolan-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiolan-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiolan-3-yl)ethyl]hydrazine is CC(C)n1ncnc1CC(NN)C1CCSC1.
What is the InChIKey of [2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiolan-3-yl)ethyl]hydrazine?
The InChIKey is GHDJVHLHYVBOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5S/c1-8(2)16-11(13-7-14-16)5-10(15-12)9-3-4-17-6-9/h7-10,15H,3-6,12H2,1-2H3.
What are the key properties of [2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiolan-3-yl)ethyl]hydrazine?
[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiolan-3-yl)ethyl]hydrazine has a molecular weight of 255.39 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiolan-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105317428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).