2,5-dimethyl-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one

C11H15N3O — CID 164876381

IUPAC2,5-dimethyl-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1c(C(C)C)ccc2nn(C)c(=O)n12
InChIInChI=1S/C11H15N3O/c1-7(2)9-5-6-10-12-13(4)11(15)14(10)8(9)3/h5-7H,1-4H3
InChIKeyPSDLTMXRIXQCSV-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.46
Rot. Bonds1

About 2,5-dimethyl-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one

2,5-dimethyl-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 164876381) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2,5-dimethyl-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2,5-dimethyl-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID164876381
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2,5-dimethyl-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1c(C(C)C)ccc2nn(C)c(=O)n12
InChIInChI=1S/C11H15N3O/c1-7(2)9-5-6-10-12-13(4)11(15)14(10)8(9)3/h5-7H,1-4H3
InChIKeyPSDLTMXRIXQCSV-UHFFFAOYSA-N
XLogP1.46
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2,5-dimethyl-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 164876381) is 2,5-dimethyl-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2,5-dimethyl-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2,5-dimethyl-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one is Cc1c(C(C)C)ccc2nn(C)c(=O)n12.
What is the InChIKey of 2,5-dimethyl-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is PSDLTMXRIXQCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7(2)9-5-6-10-12-13(4)11(15)14(10)8(9)3/h5-7H,1-4H3.
What are the key properties of 2,5-dimethyl-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2,5-dimethyl-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 205.26 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 164876381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).