3-[(dimethylsulfamoylamino)methyl]-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C10H16F3N5O2S — CID 119104833

IUPAC3-[(dimethylsulfamoylamino)methyl]-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCN(C)S(=O)(=O)NCc1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C10H16F3N5O2S/c1-17(2)21(19,20)14-5-9-16-15-8-4-3-7(6-18(8)9)10(11,12)13/h7,14H,3-6H2,1-2H3
InChIKeyABDIGRQYWRKGCQ-UHFFFAOYSA-N
MW327.33 g/mol
LogP0.30
Rot. Bonds4

About 3-[(dimethylsulfamoylamino)methyl]-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

3-[(dimethylsulfamoylamino)methyl]-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 119104833) has the molecular formula C10H16F3N5O2S and a molecular weight of 327.33 g/mol. Its IUPAC name is 3-[(dimethylsulfamoylamino)methyl]-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(dimethylsulfamoylamino)methyl]-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID119104833
Molecular FormulaC10H16F3N5O2S
Molecular Weight327.33 g/mol
Exact Mass327.10
IUPAC Name3-[(dimethylsulfamoylamino)methyl]-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCN(C)S(=O)(=O)NCc1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C10H16F3N5O2S/c1-17(2)21(19,20)14-5-9-16-15-8-4-3-7(6-18(8)9)10(11,12)13/h7,14H,3-6H2,1-2H3
InChIKeyABDIGRQYWRKGCQ-UHFFFAOYSA-N
XLogP0.30
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(dimethylsulfamoylamino)methyl]-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

[6-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine dihydrochloride
CID 71756350
[3-(difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 71757723
[8-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine
CID 73994629
1-(7-(trifluoromethyl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-3-yl)methanamine dihydrochloride
CID 119106377
[6-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine
CID 71756351
3-Methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 70575756
[3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 83866403
7-(3-methylbutyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 156141710
(3S)-3-methyl-4-(4-methylpiperidin-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-imine
CID 163757001
6-Methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 177136128
4,4-dimethyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentan-2-amine
CID 64574729
3-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentan-1-amine
CID 64574754

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylsulfamoylamino)methyl]-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(dimethylsulfamoylamino)methyl]-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 119104833) is 3-[(dimethylsulfamoylamino)methyl]-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(dimethylsulfamoylamino)methyl]-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(dimethylsulfamoylamino)methyl]-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is CN(C)S(=O)(=O)NCc1nnc2n1CC(C(F)(F)F)CC2.
What is the InChIKey of 3-[(dimethylsulfamoylamino)methyl]-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ABDIGRQYWRKGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5O2S/c1-17(2)21(19,20)14-5-9-16-15-8-4-3-7(6-18(8)9)10(11,12)13/h7,14H,3-6H2,1-2H3.
What are the key properties of 3-[(dimethylsulfamoylamino)methyl]-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
3-[(dimethylsulfamoylamino)methyl]-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 327.33 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylsulfamoylamino)methyl]-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 119104833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).