1-pyrrolidin-1-yl-2-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]propan-1-one

C15H22F3N5O — CID 71928648

IUPAC1-pyrrolidin-1-yl-2-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]propan-1-one
SMILESCC(NCc1nnc2n1CCCC2C(F)(F)F)C(=O)N1CCCC1
InChIInChI=1S/C15H22F3N5O/c1-10(14(24)22-6-2-3-7-22)19-9-12-20-21-13-11(15(16,17)18)5-4-8-23(12)13/h10-11,19H,2-9H2,1H3
InChIKeyLFQMURRLDLWOMC-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.82
Rot. Bonds4

About 1-pyrrolidin-1-yl-2-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]propan-1-one

1-pyrrolidin-1-yl-2-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]propan-1-one (PubChem CID 71928648) has the molecular formula C15H22F3N5O and a molecular weight of 345.37 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]propan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]propan-1-one
PubChem CID71928648
Molecular FormulaC15H22F3N5O
Molecular Weight345.37 g/mol
Exact Mass345.18
IUPAC Name1-pyrrolidin-1-yl-2-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]propan-1-one
SMILESCC(NCc1nnc2n1CCCC2C(F)(F)F)C(=O)N1CCCC1
InChIInChI=1S/C15H22F3N5O/c1-10(14(24)22-6-2-3-7-22)19-9-12-20-21-13-11(15(16,17)18)5-4-8-23(12)13/h10-11,19H,2-9H2,1H3
InChIKeyLFQMURRLDLWOMC-UHFFFAOYSA-N
XLogP1.82
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-pyrrolidin-1-yl-2-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]propan-1-one with MolForge

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Related Compounds

US10894794, Comp. Code No. GLP-140
CID 96445883
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CID 72114194
3-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 72123146
N-propan-2-yl-3-pyrrolidin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 118740466
Sdccgsbi-0662600.P001
CID 134789236
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 47228579
[4-(4-Propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 53192618
1-(2-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidin-1-yl)ethanone
CID 66509713
[trans-3-(4-ethyl-5-{[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl}-4H-1,2,4-triazol-3-yl)cyclobutyl]amine
CID 91759670
N,N-dimethyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrrolidine-1-carboxamide
CID 134788674
N'-{[(2S,4S)-4-fluoro-1-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-ylcarbonyl)pyrrolidin-2-yl]methyl}-N,N-dimethylurea
CID 70773852
3-[(2-Ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-1-propan-2-ylpyrrolidin-2-one
CID 71921568

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]propan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-2-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]propan-1-one (CID 71928648) is 1-pyrrolidin-1-yl-2-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]propan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]propan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-2-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]propan-1-one is CC(NCc1nnc2n1CCCC2C(F)(F)F)C(=O)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]propan-1-one?
The InChIKey is LFQMURRLDLWOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N5O/c1-10(14(24)22-6-2-3-7-22)19-9-12-20-21-13-11(15(16,17)18)5-4-8-23(12)13/h10-11,19H,2-9H2,1H3.
What are the key properties of 1-pyrrolidin-1-yl-2-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]propan-1-one?
1-pyrrolidin-1-yl-2-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]propan-1-one has a molecular weight of 345.37 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]propan-1-one is sourced from PubChem (CID 71928648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).