N-(2-methoxyethyl)-3,7-dimethyl-N-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide

C13H20F3N5O2 — CID 154762369

IUPACN-(2-methoxyethyl)-3,7-dimethyl-N-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
SMILESCOCCN(CC(F)(F)F)C(=O)C1Cn2c(C)nnc2CN1C
InChIInChI=1S/C13H20F3N5O2/c1-9-17-18-11-7-19(2)10(6-21(9)11)12(22)20(4-5-23-3)8-13(14,15)16/h10H,4-8H2,1-3H3
InChIKeyKTVJPZIMUDRVEP-UHFFFAOYSA-N
MW335.33 g/mol
LogP0.44
Rot. Bonds5

About N-(2-methoxyethyl)-3,7-dimethyl-N-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide

N-(2-methoxyethyl)-3,7-dimethyl-N-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide (PubChem CID 154762369) has the molecular formula C13H20F3N5O2 and a molecular weight of 335.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3,7-dimethyl-N-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3,7-dimethyl-N-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
PubChem CID154762369
Molecular FormulaC13H20F3N5O2
Molecular Weight335.33 g/mol
Exact Mass335.16
IUPAC NameN-(2-methoxyethyl)-3,7-dimethyl-N-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
SMILESCOCCN(CC(F)(F)F)C(=O)C1Cn2c(C)nnc2CN1C
InChIInChI=1S/C13H20F3N5O2/c1-9-17-18-11-7-19(2)10(6-21(9)11)12(22)20(4-5-23-3)8-13(14,15)16/h10H,4-8H2,1-3H3
InChIKeyKTVJPZIMUDRVEP-UHFFFAOYSA-N
XLogP0.44
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3,7-dimethyl-N-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3,7-dimethyl-N-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide (CID 154762369) is N-(2-methoxyethyl)-3,7-dimethyl-N-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3,7-dimethyl-N-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3,7-dimethyl-N-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide is COCCN(CC(F)(F)F)C(=O)C1Cn2c(C)nnc2CN1C.
What is the InChIKey of N-(2-methoxyethyl)-3,7-dimethyl-N-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
The InChIKey is KTVJPZIMUDRVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5O2/c1-9-17-18-11-7-19(2)10(6-21(9)11)12(22)20(4-5-23-3)8-13(14,15)16/h10H,4-8H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-3,7-dimethyl-N-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
N-(2-methoxyethyl)-3,7-dimethyl-N-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide has a molecular weight of 335.33 g/mol, XLogP of 0.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3,7-dimethyl-N-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide is sourced from PubChem (CID 154762369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).