3-methyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide

C14H15F3N4OS — CID 119104858

IUPAC3-methyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCc1nnc2n1CCC(C(F)(F)F)C2
InChIInChI=1S/C14H15F3N4OS/c1-8-3-5-23-12(8)13(22)18-7-11-20-19-10-6-9(14(15,16)17)2-4-21(10)11/h3,5,9H,2,4,6-7H2,1H3,(H,18,22)
InChIKeyAFGXQNZKEZQSTQ-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.70
Rot. Bonds3

About 3-methyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide

3-methyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide (PubChem CID 119104858) has the molecular formula C14H15F3N4OS and a molecular weight of 344.36 g/mol. Its IUPAC name is 3-methyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide
PubChem CID119104858
Molecular FormulaC14H15F3N4OS
Molecular Weight344.36 g/mol
Exact Mass344.09
IUPAC Name3-methyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCc1nnc2n1CCC(C(F)(F)F)C2
InChIInChI=1S/C14H15F3N4OS/c1-8-3-5-23-12(8)13(22)18-7-11-20-19-10-6-9(14(15,16)17)2-4-21(10)11/h3,5,9H,2,4,6-7H2,1H3,(H,18,22)
InChIKeyAFGXQNZKEZQSTQ-UHFFFAOYSA-N
XLogP2.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47048816
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 53609031
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 56778818
1-thiophen-2-yl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
CID 71873032
1-thiophen-2-yl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
CID 71929254
(3-Cyclopropylthiophen-2-yl)-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 72142699
5-[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidine-1-carbonyl]thiophene-3-carboxamide
CID 72142722
[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 72142925
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propan-1-one
CID 75533790
2-cyano-N-[[7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]acetamide
CID 97381586
1,1-dimethyl-3-[[7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]urea
CID 97381589
N-[[7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methyl]acetamide
CID 97405767

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide (CID 119104858) is 3-methyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide is Cc1ccsc1C(=O)NCc1nnc2n1CCC(C(F)(F)F)C2.
What is the InChIKey of 3-methyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide?
The InChIKey is AFGXQNZKEZQSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4OS/c1-8-3-5-23-12(8)13(22)18-7-11-20-19-10-6-9(14(15,16)17)2-4-21(10)11/h3,5,9H,2,4,6-7H2,1H3,(H,18,22).
What are the key properties of 3-methyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide?
3-methyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide has a molecular weight of 344.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 119104858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).