N-ethyl-2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylacetamide

C9H12F3N5OS — CID 114235251

IUPACN-ethyl-2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylacetamide
SMILESCCNC(=O)CSc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N5OS/c1-2-14-6(18)4-19-7-3-5(17-13)15-8(16-7)9(10,11)12/h3H,2,4,13H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyMVXVWBBGDIIELW-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.01
Rot. Bonds5

About N-ethyl-2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylacetamide

N-ethyl-2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylacetamide (PubChem CID 114235251) has the molecular formula C9H12F3N5OS and a molecular weight of 295.29 g/mol. Its IUPAC name is N-ethyl-2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylacetamide
PubChem CID114235251
Molecular FormulaC9H12F3N5OS
Molecular Weight295.29 g/mol
Exact Mass295.07
IUPAC NameN-ethyl-2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylacetamide
SMILESCCNC(=O)CSc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N5OS/c1-2-14-6(18)4-19-7-3-5(17-13)15-8(16-7)9(10,11)12/h3H,2,4,13H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyMVXVWBBGDIIELW-UHFFFAOYSA-N
XLogP1.01
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.01
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylacetamide?
The IUPAC name of N-ethyl-2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylacetamide (CID 114235251) is N-ethyl-2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-ethyl-2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylacetamide?
The canonical SMILES for N-ethyl-2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylacetamide is CCNC(=O)CSc1cc(NN)nc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylacetamide?
The InChIKey is MVXVWBBGDIIELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N5OS/c1-2-14-6(18)4-19-7-3-5(17-13)15-8(16-7)9(10,11)12/h3H,2,4,13H2,1H3,(H,14,18)(H,15,16,17).
What are the key properties of N-ethyl-2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylacetamide?
N-ethyl-2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylacetamide has a molecular weight of 295.29 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylacetamide is sourced from PubChem (CID 114235251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).