2-(2-cyclopropyl-2-hydroxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

C11H17N3O2 — CID 63906595

IUPAC2-(2-cyclopropyl-2-hydroxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CC(O)C2CC2)nc2n1CCCC2
InChIInChI=1S/C11H17N3O2/c15-9(8-4-5-8)7-14-11(16)13-6-2-1-3-10(13)12-14/h8-9,15H,1-7H2
InChIKeyZHHUAFFRNBSNQC-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.15
Rot. Bonds3

About 2-(2-cyclopropyl-2-hydroxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-(2-cyclopropyl-2-hydroxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 63906595) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(2-cyclopropyl-2-hydroxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-(2-cyclopropyl-2-hydroxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID63906595
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(2-cyclopropyl-2-hydroxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CC(O)C2CC2)nc2n1CCCC2
InChIInChI=1S/C11H17N3O2/c15-9(8-4-5-8)7-14-11(16)13-6-2-1-3-10(13)12-14/h8-9,15H,1-7H2
InChIKeyZHHUAFFRNBSNQC-UHFFFAOYSA-N
XLogP0.15
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-2-hydroxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-(2-cyclopropyl-2-hydroxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 63906595) is 2-(2-cyclopropyl-2-hydroxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-(2-cyclopropyl-2-hydroxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-(2-cyclopropyl-2-hydroxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(CC(O)C2CC2)nc2n1CCCC2.
What is the InChIKey of 2-(2-cyclopropyl-2-hydroxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is ZHHUAFFRNBSNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-9(8-4-5-8)7-14-11(16)13-6-2-1-3-10(13)12-14/h8-9,15H,1-7H2.
What are the key properties of 2-(2-cyclopropyl-2-hydroxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-(2-cyclopropyl-2-hydroxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 223.28 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-2-hydroxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 63906595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).