1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanone

C12H15N3O — CID 83887638

IUPAC1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanone
SMILESCC(=O)c1cccc2nnc(C(C)(C)C)n12
InChIInChI=1S/C12H15N3O/c1-8(16)9-6-5-7-10-13-14-11(15(9)10)12(2,3)4/h5-7H,1-4H3
InChIKeyUNYITLDFMDPBQR-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.23
Rot. Bonds1

About 1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanone

1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanone (PubChem CID 83887638) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanone
PubChem CID83887638
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanone
SMILESCC(=O)c1cccc2nnc(C(C)(C)C)n12
InChIInChI=1S/C12H15N3O/c1-8(16)9-6-5-7-10-13-14-11(15(9)10)12(2,3)4/h5-7H,1-4H3
InChIKeyUNYITLDFMDPBQR-UHFFFAOYSA-N
XLogP2.23
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1,2,4]Triazolo[1,5-a]pyridine-5-carbaldehyde
CID 10374584
1-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone
CID 172727883
1-(3-Fluoro-2-methylimidazo[1,2-b]pyridazin-6-yl)ethanone
CID 176063691
2-[(3-Fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde
CID 115003605
2-(2-Fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde
CID 115003897
2-[(2-Fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde
CID 117132690
2-[(4-Fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde
CID 117132806
2-(3-Fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde
CID 117132985
2-(4-Fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde
CID 117133157
3-[[3-(Trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
CID 117141118
3-[(3-Fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
CID 117141126
3-[[2-(Trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
CID 117141134

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanone?
The IUPAC name of 1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanone (CID 83887638) is 1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanone.
What is the SMILES notation for 1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanone?
The canonical SMILES for 1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanone is CC(=O)c1cccc2nnc(C(C)(C)C)n12.
What is the InChIKey of 1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanone?
The InChIKey is UNYITLDFMDPBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8(16)9-6-5-7-10-13-14-11(15(9)10)12(2,3)4/h5-7H,1-4H3.
What are the key properties of 1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanone?
1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanone has a molecular weight of 217.27 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanone is sourced from PubChem (CID 83887638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).