1,5,6-trimethyl-3-(5-phenyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)pyridin-2-one

C21H19N5O — CID 50969428

IUPAC1,5,6-trimethyl-3-(5-phenyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)pyridin-2-one
SMILESCc1cc(-c2nc(-c3ccccc3)nn2-c2ccccn2)c(=O)n(C)c1C
InChIInChI=1S/C21H19N5O/c1-14-13-17(21(27)25(3)15(14)2)20-23-19(16-9-5-4-6-10-16)24-26(20)18-11-7-8-12-22-18/h4-13H,1-3H3
InChIKeyQYECSCFZDUGHDV-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.31
Rot. Bonds3

About 1,5,6-trimethyl-3-(5-phenyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)pyridin-2-one

1,5,6-trimethyl-3-(5-phenyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)pyridin-2-one (PubChem CID 50969428) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 1,5,6-trimethyl-3-(5-phenyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)pyridin-2-one.

Molecular Properties

Compound Name1,5,6-trimethyl-3-(5-phenyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)pyridin-2-one
PubChem CID50969428
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name1,5,6-trimethyl-3-(5-phenyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)pyridin-2-one
SMILESCc1cc(-c2nc(-c3ccccc3)nn2-c2ccccn2)c(=O)n(C)c1C
InChIInChI=1S/C21H19N5O/c1-14-13-17(21(27)25(3)15(14)2)20-23-19(16-9-5-4-6-10-16)24-26(20)18-11-7-8-12-22-18/h4-13H,1-3H3
InChIKeyQYECSCFZDUGHDV-UHFFFAOYSA-N
XLogP3.31
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5,6-trimethyl-3-(5-phenyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)pyridin-2-one?
The IUPAC name of 1,5,6-trimethyl-3-(5-phenyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)pyridin-2-one (CID 50969428) is 1,5,6-trimethyl-3-(5-phenyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)pyridin-2-one.
What is the SMILES notation for 1,5,6-trimethyl-3-(5-phenyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)pyridin-2-one?
The canonical SMILES for 1,5,6-trimethyl-3-(5-phenyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)pyridin-2-one is Cc1cc(-c2nc(-c3ccccc3)nn2-c2ccccn2)c(=O)n(C)c1C.
What is the InChIKey of 1,5,6-trimethyl-3-(5-phenyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)pyridin-2-one?
The InChIKey is QYECSCFZDUGHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-14-13-17(21(27)25(3)15(14)2)20-23-19(16-9-5-4-6-10-16)24-26(20)18-11-7-8-12-22-18/h4-13H,1-3H3.
What are the key properties of 1,5,6-trimethyl-3-(5-phenyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)pyridin-2-one?
1,5,6-trimethyl-3-(5-phenyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)pyridin-2-one has a molecular weight of 357.42 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6-trimethyl-3-(5-phenyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)pyridin-2-one is sourced from PubChem (CID 50969428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).