1-(triazolo[1,5-a]pyridin-5-yl)propan-2-one

C9H9N3O — CID 83874355

IUPAC1-(triazolo[1,5-a]pyridin-5-yl)propan-2-one
SMILESCC(=O)Cc1ccn2nncc2c1
InChIInChI=1S/C9H9N3O/c1-7(13)4-8-2-3-12-9(5-8)6-10-11-12/h2-3,5-6H,4H2,1H3
InChIKeyQIWIGVQSCQMHIR-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.86
Rot. Bonds2

About 1-(triazolo[1,5-a]pyridin-5-yl)propan-2-one

1-(triazolo[1,5-a]pyridin-5-yl)propan-2-one (PubChem CID 83874355) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-(triazolo[1,5-a]pyridin-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(triazolo[1,5-a]pyridin-5-yl)propan-2-one
PubChem CID83874355
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name1-(triazolo[1,5-a]pyridin-5-yl)propan-2-one
SMILESCC(=O)Cc1ccn2nncc2c1
InChIInChI=1S/C9H9N3O/c1-7(13)4-8-2-3-12-9(5-8)6-10-11-12/h2-3,5-6H,4H2,1H3
InChIKeyQIWIGVQSCQMHIR-UHFFFAOYSA-N
XLogP0.86
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(triazolo[1,5-a]pyridin-5-yl)propan-2-one?
The IUPAC name of 1-(triazolo[1,5-a]pyridin-5-yl)propan-2-one (CID 83874355) is 1-(triazolo[1,5-a]pyridin-5-yl)propan-2-one.
What is the SMILES notation for 1-(triazolo[1,5-a]pyridin-5-yl)propan-2-one?
The canonical SMILES for 1-(triazolo[1,5-a]pyridin-5-yl)propan-2-one is CC(=O)Cc1ccn2nncc2c1.
What is the InChIKey of 1-(triazolo[1,5-a]pyridin-5-yl)propan-2-one?
The InChIKey is QIWIGVQSCQMHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-7(13)4-8-2-3-12-9(5-8)6-10-11-12/h2-3,5-6H,4H2,1H3.
What are the key properties of 1-(triazolo[1,5-a]pyridin-5-yl)propan-2-one?
1-(triazolo[1,5-a]pyridin-5-yl)propan-2-one has a molecular weight of 175.19 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(triazolo[1,5-a]pyridin-5-yl)propan-2-one is sourced from PubChem (CID 83874355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).