3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)propanamide

C18H23F3N6O3 — CID 18284743

IUPAC3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)propanamide
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N(C)CC(=O)N1CCOCC1
InChIInChI=1S/C18H23F3N6O3/c1-11-13(12(2)27-17(22-11)23-16(24-27)18(19,20)21)4-5-14(28)25(3)10-15(29)26-6-8-30-9-7-26/h4-10H2,1-3H3
InChIKeyGGMAOKISGLYGKV-UHFFFAOYSA-N
MW428.42 g/mol
LogP1.01
Rot. Bonds5

About 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)propanamide

3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)propanamide (PubChem CID 18284743) has the molecular formula C18H23F3N6O3 and a molecular weight of 428.42 g/mol. Its IUPAC name is 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)propanamide.

Molecular Properties

Compound Name3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)propanamide
PubChem CID18284743
Molecular FormulaC18H23F3N6O3
Molecular Weight428.42 g/mol
Exact Mass428.18
IUPAC Name3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)propanamide
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N(C)CC(=O)N1CCOCC1
InChIInChI=1S/C18H23F3N6O3/c1-11-13(12(2)27-17(22-11)23-16(24-27)18(19,20)21)4-5-14(28)25(3)10-15(29)26-6-8-30-9-7-26/h4-10H2,1-3H3
InChIKeyGGMAOKISGLYGKV-UHFFFAOYSA-N
XLogP1.01
TPSA92.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)propanamide?
The IUPAC name of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)propanamide (CID 18284743) is 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)propanamide.
What is the SMILES notation for 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)propanamide?
The canonical SMILES for 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)propanamide is Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N(C)CC(=O)N1CCOCC1.
What is the InChIKey of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)propanamide?
The InChIKey is GGMAOKISGLYGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N6O3/c1-11-13(12(2)27-17(22-11)23-16(24-27)18(19,20)21)4-5-14(28)25(3)10-15(29)26-6-8-30-9-7-26/h4-10H2,1-3H3.
What are the key properties of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)propanamide?
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)propanamide has a molecular weight of 428.42 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)propanamide is sourced from PubChem (CID 18284743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).