7-tert-butyl-2-(2-methylbutyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

C15H23N3O — CID 165478556

IUPAC7-tert-butyl-2-(2-methylbutyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCCC(C)Cc1nc2cc(C(C)(C)C)cc(=O)n2[nH]1
InChIInChI=1S/C15H23N3O/c1-6-10(2)7-12-16-13-8-11(15(3,4)5)9-14(19)18(13)17-12/h8-10H,6-7H2,1-5H3,(H,16,17)
InChIKeyYQZDSJCSOUNQCZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.91
Rot. Bonds3

About 7-tert-butyl-2-(2-methylbutyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

7-tert-butyl-2-(2-methylbutyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 165478556) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 7-tert-butyl-2-(2-methylbutyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name7-tert-butyl-2-(2-methylbutyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID165478556
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name7-tert-butyl-2-(2-methylbutyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCCC(C)Cc1nc2cc(C(C)(C)C)cc(=O)n2[nH]1
InChIInChI=1S/C15H23N3O/c1-6-10(2)7-12-16-13-8-11(15(3,4)5)9-14(19)18(13)17-12/h8-10H,6-7H2,1-5H3,(H,16,17)
InChIKeyYQZDSJCSOUNQCZ-UHFFFAOYSA-N
XLogP2.91
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-(2-methylbutyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 7-tert-butyl-2-(2-methylbutyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 165478556) is 7-tert-butyl-2-(2-methylbutyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 7-tert-butyl-2-(2-methylbutyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 7-tert-butyl-2-(2-methylbutyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is CCC(C)Cc1nc2cc(C(C)(C)C)cc(=O)n2[nH]1.
What is the InChIKey of 7-tert-butyl-2-(2-methylbutyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is YQZDSJCSOUNQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-6-10(2)7-12-16-13-8-11(15(3,4)5)9-14(19)18(13)17-12/h8-10H,6-7H2,1-5H3,(H,16,17).
What are the key properties of 7-tert-butyl-2-(2-methylbutyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
7-tert-butyl-2-(2-methylbutyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one has a molecular weight of 261.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-(2-methylbutyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 165478556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).