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

C14H19F3N4O2 — CID 166318379

IUPACN-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-(trifluoromethyl)oxolane-2-carboxamide
SMILESO=C(NCCc1nnc2n1CCCC2)C1CC(C(F)(F)F)CO1
InChIInChI=1S/C14H19F3N4O2/c15-14(16,17)9-7-10(23-8-9)13(22)18-5-4-12-20-19-11-3-1-2-6-21(11)12/h9-10H,1-8H2,(H,18,22)
InChIKeyXRJPAMQIPWWXJO-UHFFFAOYSA-N
MW332.33 g/mol
LogP1.24
Rot. Bonds4

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

N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166318379) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166318379
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC NameN-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-(trifluoromethyl)oxolane-2-carboxamide
SMILESO=C(NCCc1nnc2n1CCCC2)C1CC(C(F)(F)F)CO1
InChIInChI=1S/C14H19F3N4O2/c15-14(16,17)9-7-10(23-8-9)13(22)18-5-4-12-20-19-11-3-1-2-6-21(11)12/h9-10H,1-8H2,(H,18,22)
InChIKeyXRJPAMQIPWWXJO-UHFFFAOYSA-N
XLogP1.24
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-(trifluoromethyl)oxolane-2-carboxamide (CID 166318379) is N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-(trifluoromethyl)oxolane-2-carboxamide is O=C(NCCc1nnc2n1CCCC2)C1CC(C(F)(F)F)CO1.
What is the InChIKey of N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is XRJPAMQIPWWXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c15-14(16,17)9-7-10(23-8-9)13(22)18-5-4-12-20-19-11-3-1-2-6-21(11)12/h9-10H,1-8H2,(H,18,22).
What are the key properties of N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-(trifluoromethyl)oxolane-2-carboxamide?
N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 332.33 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166318379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).