N'-(3-chloropyrazin-2-yl)-8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-6-carbohydrazide

C14H16ClF3N4O3 — CID 139295677

IUPACN'-(3-chloropyrazin-2-yl)-8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-6-carbohydrazide
SMILESO=C(NNc1nccnc1Cl)C1CC(C(F)(F)F)CCC12OCCO2
InChIInChI=1S/C14H16ClF3N4O3/c15-10-11(20-4-3-19-10)21-22-12(23)9-7-8(14(16,17)18)1-2-13(9)24-5-6-25-13/h3-4,8-9H,1-2,5-7H2,(H,20,21)(H,22,23)
InChIKeyJRTWXUNNUUBKNW-UHFFFAOYSA-N
MW380.75 g/mol
LogP2.29
Rot. Bonds3

About N'-(3-chloropyrazin-2-yl)-8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-6-carbohydrazide

N'-(3-chloropyrazin-2-yl)-8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-6-carbohydrazide (PubChem CID 139295677) has the molecular formula C14H16ClF3N4O3 and a molecular weight of 380.75 g/mol. Its IUPAC name is N'-(3-chloropyrazin-2-yl)-8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-6-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chloropyrazin-2-yl)-8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-6-carbohydrazide
PubChem CID139295677
Molecular FormulaC14H16ClF3N4O3
Molecular Weight380.75 g/mol
Exact Mass380.09
IUPAC NameN'-(3-chloropyrazin-2-yl)-8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-6-carbohydrazide
SMILESO=C(NNc1nccnc1Cl)C1CC(C(F)(F)F)CCC12OCCO2
InChIInChI=1S/C14H16ClF3N4O3/c15-10-11(20-4-3-19-10)21-22-12(23)9-7-8(14(16,17)18)1-2-13(9)24-5-6-25-13/h3-4,8-9H,1-2,5-7H2,(H,20,21)(H,22,23)
InChIKeyJRTWXUNNUUBKNW-UHFFFAOYSA-N
XLogP2.29
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.75
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(3-chloropyrazin-2-yl)-8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-6-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloropyrazin-2-yl)-8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-6-carbohydrazide?
The IUPAC name of N'-(3-chloropyrazin-2-yl)-8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-6-carbohydrazide (CID 139295677) is N'-(3-chloropyrazin-2-yl)-8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-6-carbohydrazide.
What is the SMILES notation for N'-(3-chloropyrazin-2-yl)-8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-6-carbohydrazide?
The canonical SMILES for N'-(3-chloropyrazin-2-yl)-8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-6-carbohydrazide is O=C(NNc1nccnc1Cl)C1CC(C(F)(F)F)CCC12OCCO2.
What is the InChIKey of N'-(3-chloropyrazin-2-yl)-8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-6-carbohydrazide?
The InChIKey is JRTWXUNNUUBKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N4O3/c15-10-11(20-4-3-19-10)21-22-12(23)9-7-8(14(16,17)18)1-2-13(9)24-5-6-25-13/h3-4,8-9H,1-2,5-7H2,(H,20,21)(H,22,23).
What are the key properties of N'-(3-chloropyrazin-2-yl)-8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-6-carbohydrazide?
N'-(3-chloropyrazin-2-yl)-8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-6-carbohydrazide has a molecular weight of 380.75 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloropyrazin-2-yl)-8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decane-6-carbohydrazide is sourced from PubChem (CID 139295677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).