4,4-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-2-carboxamide

C11H15F2N5O — CID 120954823

IUPAC4,4-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CCc2ncnn2C1)C1CC(F)(F)CN1
InChIInChI=1S/C11H15F2N5O/c12-11(13)3-8(14-5-11)10(19)17-7-1-2-9-15-6-16-18(9)4-7/h6-8,14H,1-5H2,(H,17,19)
InChIKeyAFYPMMHCBPIPND-UHFFFAOYSA-N
MW271.27 g/mol
LogP-0.29
Rot. Bonds2

About 4,4-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-2-carboxamide

4,4-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-2-carboxamide (PubChem CID 120954823) has the molecular formula C11H15F2N5O and a molecular weight of 271.27 g/mol. Its IUPAC name is 4,4-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-2-carboxamide
PubChem CID120954823
Molecular FormulaC11H15F2N5O
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name4,4-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CCc2ncnn2C1)C1CC(F)(F)CN1
InChIInChI=1S/C11H15F2N5O/c12-11(13)3-8(14-5-11)10(19)17-7-1-2-9-15-6-16-18(9)4-7/h6-8,14H,1-5H2,(H,17,19)
InChIKeyAFYPMMHCBPIPND-UHFFFAOYSA-N
XLogP-0.29
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(tetrazol-1-yl)acetamide
CID 95137688
[4-(4-Propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 53192618
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
(3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-2-yl]methanone
CID 11668347
(4S)-4-amino-5-oxo-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentanamide
CID 69567211
(4S)-4-amino-5-oxo-5-[3-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentanamide
CID 69572708
(4S)-4-amino-5-oxo-5-[3-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentanamide
CID 87891364
N-methyl-5-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 132182643
(5S)-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 175933950
(2S)-1-[(2S)-2-amino-5-oxo-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]pentanoyl]pyrrolidine-2-carbonitrile
CID 44572138

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 4,4-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-2-carboxamide (CID 120954823) is 4,4-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4,4-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-2-carboxamide is O=C(NC1CCc2ncnn2C1)C1CC(F)(F)CN1.
What is the InChIKey of 4,4-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-2-carboxamide?
The InChIKey is AFYPMMHCBPIPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N5O/c12-11(13)3-8(14-5-11)10(19)17-7-1-2-9-15-6-16-18(9)4-7/h6-8,14H,1-5H2,(H,17,19).
What are the key properties of 4,4-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-2-carboxamide?
4,4-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-2-carboxamide has a molecular weight of 271.27 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 120954823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).