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

C23H14F3N5O — CID 1069832

IUPACN-naphthalen-1-yl-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C23H14F3N5O/c24-23(25,26)19-13-18(15-8-2-1-3-9-15)28-22-29-20(30-31(19)22)21(32)27-17-12-6-10-14-7-4-5-11-16(14)17/h1-13H,(H,27,32)
InChIKeyOQSQGYXRSWJRDH-UHFFFAOYSA-N
MW433.39 g/mol
LogP5.22
Rot. Bonds3

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

N-naphthalen-1-yl-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1069832) has the molecular formula C23H14F3N5O and a molecular weight of 433.39 g/mol. Its IUPAC name is N-naphthalen-1-yl-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1069832
Molecular FormulaC23H14F3N5O
Molecular Weight433.39 g/mol
Exact Mass433.12
IUPAC NameN-naphthalen-1-yl-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C23H14F3N5O/c24-23(25,26)19-13-18(15-8-2-1-3-9-15)28-22-29-20(30-31(19)22)21(32)27-17-12-6-10-14-7-4-5-11-16(14)17/h1-13H,(H,27,32)
InChIKeyOQSQGYXRSWJRDH-UHFFFAOYSA-N
XLogP5.22
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.39
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-naphthalen-1-yl-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 1069832) is N-naphthalen-1-yl-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1cccc2ccccc12)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1.
What is the InChIKey of N-naphthalen-1-yl-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is OQSQGYXRSWJRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3N5O/c24-23(25,26)19-13-18(15-8-2-1-3-9-15)28-22-29-20(30-31(19)22)21(32)27-17-12-6-10-14-7-4-5-11-16(14)17/h1-13H,(H,27,32).
What are the key properties of N-naphthalen-1-yl-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-naphthalen-1-yl-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 433.39 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1069832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).