N-(thiolan-3-yl)-6-(trifluoromethyl)pyridazin-3-amine

C9H10F3N3S — CID 103880258

IUPACN-(thiolan-3-yl)-6-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)c1ccc(NC2CCSC2)nn1
InChIInChI=1S/C9H10F3N3S/c10-9(11,12)7-1-2-8(15-14-7)13-6-3-4-16-5-6/h1-2,6H,3-5H2,(H,13,15)
InChIKeyMSKLOFBQRYSNFM-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.41
Rot. Bonds2

About N-(thiolan-3-yl)-6-(trifluoromethyl)pyridazin-3-amine

N-(thiolan-3-yl)-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 103880258) has the molecular formula C9H10F3N3S and a molecular weight of 249.26 g/mol. Its IUPAC name is N-(thiolan-3-yl)-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(thiolan-3-yl)-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID103880258
Molecular FormulaC9H10F3N3S
Molecular Weight249.26 g/mol
Exact Mass249.05
IUPAC NameN-(thiolan-3-yl)-6-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)c1ccc(NC2CCSC2)nn1
InChIInChI=1S/C9H10F3N3S/c10-9(11,12)7-1-2-8(15-14-7)13-6-3-4-16-5-6/h1-2,6H,3-5H2,(H,13,15)
InChIKeyMSKLOFBQRYSNFM-UHFFFAOYSA-N
XLogP2.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-N-bis(thiolan-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 75422707
N,N-dimethyl-6-(thiolan-3-ylamino)pyridazine-3-carboxamide
CID 103063431
N-(3-tricyclo[3.2.1.02,4]octanyl)-6-(trifluoromethyl)pyridazin-3-amine
CID 103880382
N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trifluoromethyl)pyridazin-3-amine
CID 133433180
methyl 6-(thiolan-3-ylamino)pyridazine-3-carboxylate
CID 103704261
N-[4-(trifluoromethyl)phenyl]thiolan-3-amine
CID 43192848
2-N-methyl-4-N-(thian-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565933
5-chloro-N-(thiolan-3-yl)pyridin-2-amine
CID 103705049
6-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine
CID 103764759
N-(thiolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 103704298
N-(thiolan-3-yl)pyrimidin-4-amine
CID 103063402
2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclopentane-1-carboxamide
CID 133419370

Frequently Asked Questions

What is the IUPAC name of N-(thiolan-3-yl)-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-(thiolan-3-yl)-6-(trifluoromethyl)pyridazin-3-amine (CID 103880258) is N-(thiolan-3-yl)-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-(thiolan-3-yl)-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-(thiolan-3-yl)-6-(trifluoromethyl)pyridazin-3-amine is FC(F)(F)c1ccc(NC2CCSC2)nn1.
What is the InChIKey of N-(thiolan-3-yl)-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is MSKLOFBQRYSNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3S/c10-9(11,12)7-1-2-8(15-14-7)13-6-3-4-16-5-6/h1-2,6H,3-5H2,(H,13,15).
What are the key properties of N-(thiolan-3-yl)-6-(trifluoromethyl)pyridazin-3-amine?
N-(thiolan-3-yl)-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 249.26 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-3-yl)-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 103880258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).