cis-(1S,2R)-N-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

C16H23F3N4O — CID 129418397

IUPACcis-(1S,2R)-N-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCCc1nnc2n1C[C@H](NC(=O)[C@H]1CCCC[C@H]1C(F)(F)F)CC2
InChIInChI=1S/C16H23F3N4O/c1-2-13-21-22-14-8-7-10(9-23(13)14)20-15(24)11-5-3-4-6-12(11)16(17,18)19/h10-12H,2-9H2,1H3,(H,20,24)/t10-,11+,12-/m1/s1
InChIKeyBIZLPEILTGXKRV-GRYCIOLGSA-N
MW344.38 g/mol
LogP2.64
Rot. Bonds3

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

cis-(1S,2R)-N-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 129418397) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is cis-(1S,2R)-N-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID129418397
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC Namecis-(1S,2R)-N-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCCc1nnc2n1C[C@H](NC(=O)[C@H]1CCCC[C@H]1C(F)(F)F)CC2
InChIInChI=1S/C16H23F3N4O/c1-2-13-21-22-14-8-7-10(9-23(13)14)20-15(24)11-5-3-4-6-12(11)16(17,18)19/h10-12H,2-9H2,1H3,(H,20,24)/t10-,11+,12-/m1/s1
InChIKeyBIZLPEILTGXKRV-GRYCIOLGSA-N
XLogP2.64
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[[(6R)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentanecarboxamide
CID 129353183
2-cyclopentyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 47228592
2-cyclohexyl-1-[3-isopropyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-ethanone
CID 53193622
3-cyclopentyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 71836697
1-Cyclohexyl-3-((6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)urea
CID 119104832
2-(2-methylcyclohexyl)-N-[1-(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethyl]acetamide
CID 136560378
[(8S)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-propan-2-ylcyclohexyl)methanone
CID 164636022
(1R,2R)-N-(1-cyanocyclopropyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]cyclohexane-1-carboxamide
CID 25165030
1-[1-(aminomethyl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclohexyl]-4-methylpyrrolidin-2-one
CID 70293943
5-methyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]heptan-1-one
CID 123760905
[(3S,4S)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;hydrochloride
CID 134264099
[(3S,4S)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134264100

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 129418397) is cis-(1S,2R)-N-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is CCc1nnc2n1C[C@H](NC(=O)[C@H]1CCCC[C@H]1C(F)(F)F)CC2.
What is the InChIKey of cis-(1S,2R)-N-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is BIZLPEILTGXKRV-GRYCIOLGSA-N. The full InChI is InChI=1S/C16H23F3N4O/c1-2-13-21-22-14-8-7-10(9-23(13)14)20-15(24)11-5-3-4-6-12(11)16(17,18)19/h10-12H,2-9H2,1H3,(H,20,24)/t10-,11+,12-/m1/s1.
What are the key properties of cis-(1S,2R)-N-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
cis-(1S,2R)-N-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 129418397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).