N-methyl-2-[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide

C13H16F3N7O — CID 146038154

IUPACN-methyl-2-[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
SMILESCNC(=O)Cc1nc(C2CCn3ncnc3C2)n(CC(F)(F)F)n1
InChIInChI=1S/C13H16F3N7O/c1-17-11(24)5-9-20-12(23(21-9)6-13(14,15)16)8-2-3-22-10(4-8)18-7-19-22/h7-8H,2-6H2,1H3,(H,17,24)
InChIKeyDWTHLLWBUMPPKJ-UHFFFAOYSA-N
MW343.31 g/mol
LogP0.45
Rot. Bonds4

About N-methyl-2-[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide

N-methyl-2-[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 146038154) has the molecular formula C13H16F3N7O and a molecular weight of 343.31 g/mol. Its IUPAC name is N-methyl-2-[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
PubChem CID146038154
Molecular FormulaC13H16F3N7O
Molecular Weight343.31 g/mol
Exact Mass343.14
IUPAC NameN-methyl-2-[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
SMILESCNC(=O)Cc1nc(C2CCn3ncnc3C2)n(CC(F)(F)F)n1
InChIInChI=1S/C13H16F3N7O/c1-17-11(24)5-9-20-12(23(21-9)6-13(14,15)16)8-2-3-22-10(4-8)18-7-19-22/h7-8H,2-6H2,1H3,(H,17,24)
InChIKeyDWTHLLWBUMPPKJ-UHFFFAOYSA-N
XLogP0.45
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

(3S)-3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-2-one
CID 164641363
1-[4-(4-Ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethylamino)propan-1-one
CID 72141826
1-[4-[4-Ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 72845366
4-[4-methyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(4,4,4-trifluorobutanoyl)piperidine
CID 72865756
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 120641917
1-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 127314852
3-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]piperidin-2-one
CID 131952514
2-[2'-methyl-5-(5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5'-(trifluoromethyl)-2'H-1,3'-bi-1,2,4-triazol-3-yl]acetamide
CID 154817800
N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide acetate
CID 155499282
2-[5-(trans-4-aminocyclohexyl)-2'-methyl-5'-(trifluoromethyl)-2'H-1,3'-bi-1,2,4-triazol-3-yl]-N-methylacetamide hydrochloride
CID 157012789
(3-{4-[4-ethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}-3-oxopropyl)amine
CID 72850529
N-(3-{4-[4-methyl-5-(1H-1,2,4-triazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}-3-oxopropyl)acetamide
CID 72862444

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of N-methyl-2-[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide (CID 146038154) is N-methyl-2-[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for N-methyl-2-[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for N-methyl-2-[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide is CNC(=O)Cc1nc(C2CCn3ncnc3C2)n(CC(F)(F)F)n1.
What is the InChIKey of N-methyl-2-[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is DWTHLLWBUMPPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N7O/c1-17-11(24)5-9-20-12(23(21-9)6-13(14,15)16)8-2-3-22-10(4-8)18-7-19-22/h7-8H,2-6H2,1H3,(H,17,24).
What are the key properties of N-methyl-2-[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide?
N-methyl-2-[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 343.31 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 146038154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).