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

C13H23F2N5 — CID 105317373

IUPAC[1-(4,4-difluorocyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCC(C)n1ncnc1CC(NN)C1CCC(F)(F)CC1
InChIInChI=1S/C13H23F2N5/c1-9(2)20-12(17-8-18-20)7-11(19-16)10-3-5-13(14,15)6-4-10/h8-11,19H,3-7,16H2,1-2H3
InChIKeyBQDBGWJUHAHPDU-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.06
Rot. Bonds5

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

[1-(4,4-difluorocyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine (PubChem CID 105317373) has the molecular formula C13H23F2N5 and a molecular weight of 287.36 g/mol. Its IUPAC name is [1-(4,4-difluorocyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(4,4-difluorocyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
PubChem CID105317373
Molecular FormulaC13H23F2N5
Molecular Weight287.36 g/mol
Exact Mass287.19
IUPAC Name[1-(4,4-difluorocyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCC(C)n1ncnc1CC(NN)C1CCC(F)(F)CC1
InChIInChI=1S/C13H23F2N5/c1-9(2)20-12(17-8-18-20)7-11(19-16)10-3-5-13(14,15)6-4-10/h8-11,19H,3-7,16H2,1-2H3
InChIKeyBQDBGWJUHAHPDU-UHFFFAOYSA-N
XLogP2.06
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(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-(4,4-difluorocyclohexyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105291188
[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
[1-(1-methoxy-4-methylcyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105277166
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
[1-(1-phenylcyclopropyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105217181
1-(1-methoxy-4-methylcyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 116766229
3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol
CID 115813961
[3,3-dimethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine
CID 105317424

Frequently Asked Questions

What is the IUPAC name of [1-(4,4-difluorocyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(4,4-difluorocyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine (CID 105317373) is [1-(4,4-difluorocyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(4,4-difluorocyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(4,4-difluorocyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine is CC(C)n1ncnc1CC(NN)C1CCC(F)(F)CC1.
What is the InChIKey of [1-(4,4-difluorocyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The InChIKey is BQDBGWJUHAHPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2N5/c1-9(2)20-12(17-8-18-20)7-11(19-16)10-3-5-13(14,15)6-4-10/h8-11,19H,3-7,16H2,1-2H3.
What are the key properties of [1-(4,4-difluorocyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine?
[1-(4,4-difluorocyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine has a molecular weight of 287.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,4-difluorocyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105317373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).