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

C11H12F3N7O — CID 155499282

IUPACN-[[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
SMILESO=C(NCc1nc(C(F)(F)F)n[nH]1)C1CCc2ncnn2C1
InChIInChI=1S/C11H12F3N7O/c12-11(13,14)10-18-7(19-20-10)3-15-9(22)6-1-2-8-16-5-17-21(8)4-6/h5-6H,1-4H2,(H,15,22)(H,18,19,20)
InChIKeyMFGAJKCMUNGCIT-UHFFFAOYSA-N
MW315.26 g/mol
LogP0.29
Rot. Bonds3

About 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

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 (PubChem CID 155499282) has the molecular formula C11H12F3N7O and a molecular weight of 315.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[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
PubChem CID155499282
Molecular FormulaC11H12F3N7O
Molecular Weight315.26 g/mol
Exact Mass315.11
IUPAC NameN-[[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
SMILESO=C(NCc1nc(C(F)(F)F)n[nH]1)C1CCc2ncnn2C1
InChIInChI=1S/C11H12F3N7O/c12-11(13,14)10-18-7(19-20-10)3-15-9(22)6-1-2-8-16-5-17-21(8)4-6/h5-6H,1-4H2,(H,15,22)(H,18,19,20)
InChIKeyMFGAJKCMUNGCIT-UHFFFAOYSA-N
XLogP0.29
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-2-one
CID 164641363
(4,4-difluoropyrrolidin-2-yl)-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone;dihydrochloride
CID 120352485
(4,4-difluoropyrrolidin-2-yl)-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 120352486
4,4-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-2-carboxamide
CID 120954823
N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}-3-piperidinecarboxamide hydrochloride
CID 122561940
(3S)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide
CID 125439835
(3R)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide
CID 125439836
3-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]piperidin-2-one
CID 131952514
N-methyl-2-[5-(5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 146038154
2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 154770301
N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride
CID 154911401
acetic acid;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
CID 155938775

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 155499282) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(NCc1nc(C(F)(F)F)n[nH]1)C1CCc2ncnn2C1.
What is the InChIKey of 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?
The InChIKey is MFGAJKCMUNGCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N7O/c12-11(13,14)10-18-7(19-20-10)3-15-9(22)6-1-2-8-16-5-17-21(8)4-6/h5-6H,1-4H2,(H,15,22)(H,18,19,20).
What are the key properties of 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?
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 has a molecular weight of 315.26 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155499282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).