N,N-diethyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide

C9H10F3N5OS — CID 110385034

IUPACN,N-diethyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESCCN(CC)C(=O)c1nn2c(C(F)(F)F)nnc2s1
InChIInChI=1S/C9H10F3N5OS/c1-3-16(4-2)6(18)5-15-17-7(9(10,11)12)13-14-8(17)19-5/h3-4H2,1-2H3
InChIKeyADXLBYDVFCSHSU-UHFFFAOYSA-N
MW293.27 g/mol
LogP1.69
Rot. Bonds3

About N,N-diethyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide

N,N-diethyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (PubChem CID 110385034) has the molecular formula C9H10F3N5OS and a molecular weight of 293.27 g/mol. Its IUPAC name is N,N-diethyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
PubChem CID110385034
Molecular FormulaC9H10F3N5OS
Molecular Weight293.27 g/mol
Exact Mass293.06
IUPAC NameN,N-diethyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESCCN(CC)C(=O)c1nn2c(C(F)(F)F)nnc2s1
InChIInChI=1S/C9H10F3N5OS/c1-3-16(4-2)6(18)5-15-17-7(9(10,11)12)13-14-8(17)19-5/h3-4H2,1-2H3
InChIKeyADXLBYDVFCSHSU-UHFFFAOYSA-N
XLogP1.69
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dipropyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385046
N-benzyl-N-ethyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385008
N,N-diethyl-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384844
ethyl 4-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carbonyl]piperazine-1-carboxylate
CID 110385030
1,1-dimethyl-3-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]urea
CID 110401897
N-(2-ethyl-6-methylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385065
N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385005
3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385100
N-(2,6-difluorophenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385136
ethyl 1-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclobutane-1-carboxylate
CID 114352719
methyl 4-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carbonyl]amino]benzoate
CID 110385107
6-(4-ethylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114352782

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The IUPAC name of N,N-diethyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (CID 110385034) is N,N-diethyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.
What is the SMILES notation for N,N-diethyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The canonical SMILES for N,N-diethyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is CCN(CC)C(=O)c1nn2c(C(F)(F)F)nnc2s1.
What is the InChIKey of N,N-diethyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The InChIKey is ADXLBYDVFCSHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5OS/c1-3-16(4-2)6(18)5-15-17-7(9(10,11)12)13-14-8(17)19-5/h3-4H2,1-2H3.
What are the key properties of N,N-diethyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
N,N-diethyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide has a molecular weight of 293.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is sourced from PubChem (CID 110385034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).