1-(2-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone

C11H15N3O — CID 83882508

IUPAC1-(2-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
SMILESCC(=O)C1CCn2nc(C3CC3)nc2C1
InChIInChI=1S/C11H15N3O/c1-7(15)9-4-5-14-10(6-9)12-11(13-14)8-2-3-8/h8-9H,2-6H2,1H3
InChIKeyZMARDRLWLRROQQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.31
Rot. Bonds2

About 1-(2-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone

1-(2-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone (PubChem CID 83882508) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(2-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone.

Molecular Properties

Compound Name1-(2-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
PubChem CID83882508
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(2-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
SMILESCC(=O)C1CCn2nc(C3CC3)nc2C1
InChIInChI=1S/C11H15N3O/c1-7(15)9-4-5-14-10(6-9)12-11(13-14)8-2-3-8/h8-9H,2-6H2,1H3
InChIKeyZMARDRLWLRROQQ-UHFFFAOYSA-N
XLogP1.31
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?
The IUPAC name of 1-(2-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone (CID 83882508) is 1-(2-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone.
What is the SMILES notation for 1-(2-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?
The canonical SMILES for 1-(2-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone is CC(=O)C1CCn2nc(C3CC3)nc2C1.
What is the InChIKey of 1-(2-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?
The InChIKey is ZMARDRLWLRROQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7(15)9-4-5-14-10(6-9)12-11(13-14)8-2-3-8/h8-9H,2-6H2,1H3.
What are the key properties of 1-(2-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?
1-(2-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone has a molecular weight of 205.26 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone is sourced from PubChem (CID 83882508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).