[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine

C13H17F3N4O — CID 102720632

IUPAC[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESNNc1cc(C(F)(F)F)cc(N2CCOC3CCCC32)n1
InChIInChI=1S/C13H17F3N4O/c14-13(15,16)8-6-11(19-17)18-12(7-8)20-4-5-21-10-3-1-2-9(10)20/h6-7,9-10H,1-5,17H2,(H,18,19)
InChIKeyHTBGFOPNCDVRJL-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.14
Rot. Bonds2

About [6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine

[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine (PubChem CID 102720632) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is [6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
PubChem CID102720632
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC Name[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESNNc1cc(C(F)(F)F)cc(N2CCOC3CCCC32)n1
InChIInChI=1S/C13H17F3N4O/c14-13(15,16)8-6-11(19-17)18-12(7-8)20-4-5-21-10-3-1-2-9(10)20/h6-7,9-10H,1-5,17H2,(H,18,19)
InChIKeyHTBGFOPNCDVRJL-UHFFFAOYSA-N
XLogP2.14
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.14
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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Frequently Asked Questions

What is the IUPAC name of [6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The IUPAC name of [6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine (CID 102720632) is [6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The canonical SMILES for [6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine is NNc1cc(C(F)(F)F)cc(N2CCOC3CCCC32)n1.
What is the InChIKey of [6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
The InChIKey is HTBGFOPNCDVRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c14-13(15,16)8-6-11(19-17)18-12(7-8)20-4-5-21-10-3-1-2-9(10)20/h6-7,9-10H,1-5,17H2,(H,18,19).
What are the key properties of [6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine?
[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine has a molecular weight of 302.30 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 102720632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).