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

C19H19F3N6O — CID 2477795

IUPAC7-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCCC3)nn12
InChIInChI=1S/C19H19F3N6O/c1-12-7-8-23-18-25-16(26-28(12)18)17(29)24-14-11-13(19(20,21)22)5-6-15(14)27-9-3-2-4-10-27/h5-8,11H,2-4,9-10H2,1H3,(H,24,29)
InChIKeyPDHLUFFOZNLZMN-UHFFFAOYSA-N
MW404.40 g/mol
LogP3.69
Rot. Bonds3

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

7-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2477795) has the molecular formula C19H19F3N6O and a molecular weight of 404.40 g/mol. Its IUPAC name is 7-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2477795
Molecular FormulaC19H19F3N6O
Molecular Weight404.40 g/mol
Exact Mass404.16
IUPAC Name7-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCCC3)nn12
InChIInChI=1S/C19H19F3N6O/c1-12-7-8-23-18-25-16(26-28(12)18)17(29)24-14-11-13(19(20,21)22)5-6-15(14)27-9-3-2-4-10-27/h5-8,11H,2-4,9-10H2,1H3,(H,24,29)
InChIKeyPDHLUFFOZNLZMN-UHFFFAOYSA-N
XLogP3.69
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 2477795) is 7-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccnc2nc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCCC3)nn12.
What is the InChIKey of 7-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is PDHLUFFOZNLZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O/c1-12-7-8-23-18-25-16(26-28(12)18)17(29)24-14-11-13(19(20,21)22)5-6-15(14)27-9-3-2-4-10-27/h5-8,11H,2-4,9-10H2,1H3,(H,24,29).
What are the key properties of 7-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
7-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 404.40 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2477795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).