4-methyl-1-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one

C18H20F3N5O3 — CID 172670363

IUPAC4-methyl-1-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one
SMILESCc1ccn(CC2CCCO2)c(=O)c1C(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C18H20F3N5O3/c1-11-4-5-24(9-12-3-2-8-29-12)15(27)14(11)16(28)25-6-7-26-13(10-25)22-23-17(26)18(19,20)21/h4-5,12H,2-3,6-10H2,1H3
InChIKeyDEBHLLRUKWMRBF-UHFFFAOYSA-N
MW411.38 g/mol
LogP1.60
Rot. Bonds3

About 4-methyl-1-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one

4-methyl-1-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one (PubChem CID 172670363) has the molecular formula C18H20F3N5O3 and a molecular weight of 411.38 g/mol. Its IUPAC name is 4-methyl-1-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one
PubChem CID172670363
Molecular FormulaC18H20F3N5O3
Molecular Weight411.38 g/mol
Exact Mass411.15
IUPAC Name4-methyl-1-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one
SMILESCc1ccn(CC2CCCO2)c(=O)c1C(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C18H20F3N5O3/c1-11-4-5-24(9-12-3-2-8-29-12)15(27)14(11)16(28)25-6-7-26-13(10-25)22-23-17(26)18(19,20)21/h4-5,12H,2-3,6-10H2,1H3
InChIKeyDEBHLLRUKWMRBF-UHFFFAOYSA-N
XLogP1.60
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.38
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-methyl-1-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one?
The IUPAC name of 4-methyl-1-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one (CID 172670363) is 4-methyl-1-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one.
What is the SMILES notation for 4-methyl-1-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one?
The canonical SMILES for 4-methyl-1-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one is Cc1ccn(CC2CCCO2)c(=O)c1C(=O)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 4-methyl-1-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one?
The InChIKey is DEBHLLRUKWMRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O3/c1-11-4-5-24(9-12-3-2-8-29-12)15(27)14(11)16(28)25-6-7-26-13(10-25)22-23-17(26)18(19,20)21/h4-5,12H,2-3,6-10H2,1H3.
What are the key properties of 4-methyl-1-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one?
4-methyl-1-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one has a molecular weight of 411.38 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one is sourced from PubChem (CID 172670363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).