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

C13H18F2N4O2 — CID 166268473

IUPAC2-(difluoromethyl)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)oxolane-2-carboxamide
SMILESCc1nc2n(n1)CCCC2NC(=O)C1(C(F)F)CCCO1
InChIInChI=1S/C13H18F2N4O2/c1-8-16-10-9(4-2-6-19(10)18-8)17-12(20)13(11(14)15)5-3-7-21-13/h9,11H,2-7H2,1H3,(H,17,20)
InChIKeyVJWWDIOHFUPGQY-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.35
Rot. Bonds3

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

2-(difluoromethyl)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)oxolane-2-carboxamide (PubChem CID 166268473) has the molecular formula C13H18F2N4O2 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)oxolane-2-carboxamide
PubChem CID166268473
Molecular FormulaC13H18F2N4O2
Molecular Weight300.31 g/mol
Exact Mass300.14
IUPAC Name2-(difluoromethyl)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)oxolane-2-carboxamide
SMILESCc1nc2n(n1)CCCC2NC(=O)C1(C(F)F)CCCO1
InChIInChI=1S/C13H18F2N4O2/c1-8-16-10-9(4-2-6-19(10)18-8)17-12(20)13(11(14)15)5-3-7-21-13/h9,11H,2-7H2,1H3,(H,17,20)
InChIKeyVJWWDIOHFUPGQY-UHFFFAOYSA-N
XLogP1.35
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)oxolane-2-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)oxolane-2-carboxamide (CID 166268473) is 2-(difluoromethyl)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)oxolane-2-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)oxolane-2-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)oxolane-2-carboxamide is Cc1nc2n(n1)CCCC2NC(=O)C1(C(F)F)CCCO1.
What is the InChIKey of 2-(difluoromethyl)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)oxolane-2-carboxamide?
The InChIKey is VJWWDIOHFUPGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N4O2/c1-8-16-10-9(4-2-6-19(10)18-8)17-12(20)13(11(14)15)5-3-7-21-13/h9,11H,2-7H2,1H3,(H,17,20).
What are the key properties of 2-(difluoromethyl)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)oxolane-2-carboxamide?
2-(difluoromethyl)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)oxolane-2-carboxamide has a molecular weight of 300.31 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)oxolane-2-carboxamide is sourced from PubChem (CID 166268473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).