5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone

C13H17F3N4O — CID 128517863

IUPAC5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCc2nncn2C1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H17F3N4O/c14-13(15,16)10-3-5-19(6-4-10)12(21)9-1-2-11-18-17-8-20(11)7-9/h8-10H,1-7H2
InChIKeyLQAHHDQVGJRGJF-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.64
Rot. Bonds1

About 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone

5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 128517863) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID128517863
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC Name5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCc2nncn2C1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H17F3N4O/c14-13(15,16)10-3-5-19(6-4-10)12(21)9-1-2-11-18-17-8-20(11)7-9/h8-10H,1-7H2
InChIKeyLQAHHDQVGJRGJF-UHFFFAOYSA-N
XLogP1.64
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone (CID 128517863) is 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone is O=C(C1CCc2nncn2C1)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is LQAHHDQVGJRGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c14-13(15,16)10-3-5-19(6-4-10)12(21)9-1-2-11-18-17-8-20(11)7-9/h8-10H,1-7H2.
What are the key properties of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone?
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 302.30 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 128517863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).