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

C10H12F3N5OS — CID 114235278

IUPACN-cyclopropyl-2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylacetamide
SMILESNNc1cc(SCC(=O)NC2CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N5OS/c11-10(12,13)9-16-6(18-14)3-8(17-9)20-4-7(19)15-5-1-2-5/h3,5H,1-2,4,14H2,(H,15,19)(H,16,17,18)
InChIKeyBHMHOUYKSMWGLG-UHFFFAOYSA-N
MW307.30 g/mol
LogP1.15
Rot. Bonds5

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

N-cyclopropyl-2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylacetamide (PubChem CID 114235278) has the molecular formula C10H12F3N5OS and a molecular weight of 307.30 g/mol. Its IUPAC name is N-cyclopropyl-2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylacetamide
PubChem CID114235278
Molecular FormulaC10H12F3N5OS
Molecular Weight307.30 g/mol
Exact Mass307.07
IUPAC NameN-cyclopropyl-2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylacetamide
SMILESNNc1cc(SCC(=O)NC2CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N5OS/c11-10(12,13)9-16-6(18-14)3-8(17-9)20-4-7(19)15-5-1-2-5/h3,5H,1-2,4,14H2,(H,15,19)(H,16,17,18)
InChIKeyBHMHOUYKSMWGLG-UHFFFAOYSA-N
XLogP1.15
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 51.15
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-cyclopropyl-2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylacetamide?
The IUPAC name of N-cyclopropyl-2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylacetamide (CID 114235278) is N-cyclopropyl-2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylacetamide is NNc1cc(SCC(=O)NC2CC2)nc(C(F)(F)F)n1.
What is the InChIKey of N-cyclopropyl-2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylacetamide?
The InChIKey is BHMHOUYKSMWGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5OS/c11-10(12,13)9-16-6(18-14)3-8(17-9)20-4-7(19)15-5-1-2-5/h3,5H,1-2,4,14H2,(H,15,19)(H,16,17,18).
What are the key properties of N-cyclopropyl-2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylacetamide?
N-cyclopropyl-2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylacetamide has a molecular weight of 307.30 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylacetamide is sourced from PubChem (CID 114235278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).