N,N-dimethyl-N'-[6-propyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]sulfonylmethanimidamide

C13H16F3N5O2S — CID 23076741

IUPACN,N-dimethyl-N'-[6-propyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]sulfonylmethanimidamide
SMILESCCCc1ccc2nc(C(F)(F)F)c(S(=O)(=O)/N=C/N(C)C)n2n1
InChIInChI=1S/C13H16F3N5O2S/c1-4-5-9-6-7-10-18-11(13(14,15)16)12(21(10)19-9)24(22,23)17-8-20(2)3/h6-8H,4-5H2,1-3H3/b17-8+
InChIKeyAJVQTRADBCUXOK-CAOOACKPSA-N
MW363.37 g/mol
LogP1.98
Rot. Bonds5

About N,N-dimethyl-N'-[6-propyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]sulfonylmethanimidamide

N,N-dimethyl-N'-[6-propyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]sulfonylmethanimidamide (PubChem CID 23076741) has the molecular formula C13H16F3N5O2S and a molecular weight of 363.37 g/mol. Its IUPAC name is N,N-dimethyl-N'-[6-propyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]sulfonylmethanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-[6-propyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]sulfonylmethanimidamide
PubChem CID23076741
Molecular FormulaC13H16F3N5O2S
Molecular Weight363.37 g/mol
Exact Mass363.10
IUPAC NameN,N-dimethyl-N'-[6-propyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]sulfonylmethanimidamide
SMILESCCCc1ccc2nc(C(F)(F)F)c(S(=O)(=O)/N=C/N(C)C)n2n1
InChIInChI=1S/C13H16F3N5O2S/c1-4-5-9-6-7-10-18-11(13(14,15)16)12(21(10)19-9)24(22,23)17-8-20(2)3/h6-8H,4-5H2,1-3H3/b17-8+
InChIKeyAJVQTRADBCUXOK-CAOOACKPSA-N
XLogP1.98
TPSA79.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(4-Ethylpiperazin-1-yl)sulfonyl-6-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazine
CID 145965354
2-Fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonyl fluoride
CID 23028096
2-Fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonic acid
CID 23028098
2-Fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonamide
CID 23028142
6-n-Propyl-2-trifluoromethylimidazo[1,2-b]pyridazin-3-ylsulfonamide
CID 23076745
6-Ethyl-2-fluoroimidazo[1,2-b]pyridazine-3-sulfonamide
CID 67265921
6-Ethenyl-2-fluoroimidazo[1,2-b]pyridazine-3-sulfonamide
CID 67266000
2-Fluoro-6-(2-methylpropyl)imidazo[1,2-b]pyridazine-3-sulfonamide
CID 67266018
6-Butyl-2-fluoroimidazo[1,2-b]pyridazine-3-sulfonamide
CID 67266139
6-Cyclopropyl-2-fluoroimidazo[1,2-b]pyridazine-3-sulfonamide
CID 67266388
2-fluoro-6-[(Z)-prop-1-enyl]imidazo[1,2-b]pyridazine-3-sulfonamide
CID 67266520
2-Fluoro-6-prop-1-enylimidazo[1,2-b]pyridazine-3-sulfonamide
CID 67266521

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[6-propyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]sulfonylmethanimidamide?
The IUPAC name of N,N-dimethyl-N'-[6-propyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]sulfonylmethanimidamide (CID 23076741) is N,N-dimethyl-N'-[6-propyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]sulfonylmethanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-[6-propyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]sulfonylmethanimidamide?
The canonical SMILES for N,N-dimethyl-N'-[6-propyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]sulfonylmethanimidamide is CCCc1ccc2nc(C(F)(F)F)c(S(=O)(=O)/N=C/N(C)C)n2n1.
What is the InChIKey of N,N-dimethyl-N'-[6-propyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]sulfonylmethanimidamide?
The InChIKey is AJVQTRADBCUXOK-CAOOACKPSA-N. The full InChI is InChI=1S/C13H16F3N5O2S/c1-4-5-9-6-7-10-18-11(13(14,15)16)12(21(10)19-9)24(22,23)17-8-20(2)3/h6-8H,4-5H2,1-3H3/b17-8+.
What are the key properties of N,N-dimethyl-N'-[6-propyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]sulfonylmethanimidamide?
N,N-dimethyl-N'-[6-propyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]sulfonylmethanimidamide has a molecular weight of 363.37 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[6-propyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]sulfonylmethanimidamide is sourced from PubChem (CID 23076741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).