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

C13H13F3N4O2 — CID 129353181

IUPACN-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-3-carboxamide
SMILESO=C(NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccoc1
InChIInChI=1S/C13H13F3N4O2/c14-13(15,16)9-1-2-10-18-19-11(20(10)6-9)5-17-12(21)8-3-4-22-7-8/h3-4,7,9H,1-2,5-6H2,(H,17,21)/t9-/m0/s1
InChIKeyBSVWKPQWWBQFMK-VIFPVBQESA-N
MW314.27 g/mol
LogP1.93
Rot. Bonds3

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

N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-3-carboxamide (PubChem CID 129353181) has the molecular formula C13H13F3N4O2 and a molecular weight of 314.27 g/mol. Its IUPAC name is N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-3-carboxamide
PubChem CID129353181
Molecular FormulaC13H13F3N4O2
Molecular Weight314.27 g/mol
Exact Mass314.10
IUPAC NameN-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-3-carboxamide
SMILESO=C(NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccoc1
InChIInChI=1S/C13H13F3N4O2/c14-13(15,16)9-1-2-10-18-19-11(20(10)6-9)5-17-12(21)8-3-4-22-7-8/h3-4,7,9H,1-2,5-6H2,(H,17,21)/t9-/m0/s1
InChIKeyBSVWKPQWWBQFMK-VIFPVBQESA-N
XLogP1.93
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

furan-3-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 84594381
N~3~-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3-furamide
CID 47228598
[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone
CID 53192221
[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(furan-3-yl)methanone
CID 53192404
1-(Furan-3-carbonyl)-4-[4-(propan-2-YL)-4H-1,2,4-triazol-3-YL]piperidine
CID 53192605
[cis-3-(5-{[4-(3-furoyl)-1,4-diazepan-1-yl]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]amine
CID 91761662
N-{3-Methyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-A]azepin-7-YL}furan-3-carboxamide
CID 91910718
N-{3-Cyclopropyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-A]azepin-7-YL}furan-3-carboxamide
CID 91922583
furan-3-yl-[3-[(2S,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 110197728
1-(furan-3-carbonyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide
CID 33504165
N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)furan-3-carboxamide
CID 47019785
N-((6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)furan-3-carboxamide
CID 119104826

Frequently Asked Questions

What is the IUPAC name of N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-3-carboxamide?
The IUPAC name of N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-3-carboxamide (CID 129353181) is N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-3-carboxamide.
What is the SMILES notation for N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-3-carboxamide?
The canonical SMILES for N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-3-carboxamide is O=C(NCc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccoc1.
What is the InChIKey of N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-3-carboxamide?
The InChIKey is BSVWKPQWWBQFMK-VIFPVBQESA-N. The full InChI is InChI=1S/C13H13F3N4O2/c14-13(15,16)9-1-2-10-18-19-11(20(10)6-9)5-17-12(21)8-3-4-22-7-8/h3-4,7,9H,1-2,5-6H2,(H,17,21)/t9-/m0/s1.
What are the key properties of N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-3-carboxamide?
N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-3-carboxamide has a molecular weight of 314.27 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(6S)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-3-carboxamide is sourced from PubChem (CID 129353181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).