5,7-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C19H19F3N6O2 — CID 2489078

IUPAC5,7-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)nc2n1
InChIInChI=1S/C19H19F3N6O2/c1-11-9-12(2)28-18(23-11)25-16(26-28)17(29)24-14-10-13(19(20,21)22)3-4-15(14)27-5-7-30-8-6-27/h3-4,9-10H,5-8H2,1-2H3,(H,24,29)
InChIKeyIYSFCDBFTWNNHB-UHFFFAOYSA-N
MW420.40 g/mol
LogP2.85
Rot. Bonds3

About 5,7-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

5,7-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2489078) has the molecular formula C19H19F3N6O2 and a molecular weight of 420.40 g/mol. Its IUPAC name is 5,7-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2489078
Molecular FormulaC19H19F3N6O2
Molecular Weight420.40 g/mol
Exact Mass420.15
IUPAC Name5,7-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)nc2n1
InChIInChI=1S/C19H19F3N6O2/c1-11-9-12(2)28-18(23-11)25-16(26-28)17(29)24-14-10-13(19(20,21)22)3-4-15(14)27-5-7-30-8-6-27/h3-4,9-10H,5-8H2,1-2H3,(H,24,29)
InChIKeyIYSFCDBFTWNNHB-UHFFFAOYSA-N
XLogP2.85
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 2489078) is 5,7-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)nc2n1.
What is the InChIKey of 5,7-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is IYSFCDBFTWNNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O2/c1-11-9-12(2)28-18(23-11)25-16(26-28)17(29)24-14-10-13(19(20,21)22)3-4-15(14)27-5-7-30-8-6-27/h3-4,9-10H,5-8H2,1-2H3,(H,24,29).
What are the key properties of 5,7-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 420.40 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2489078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).