2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)ethanamine

C9H16N4O — CID 81057244

IUPAC2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)ethanamine
SMILESNCCOCc1nnc2n1CCCC2
InChIInChI=1S/C9H16N4O/c10-4-6-14-7-9-12-11-8-3-1-2-5-13(8)9/h1-7,10H2
InChIKeyXQMHQFCVTYKYJH-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.09
Rot. Bonds4

About 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)ethanamine

2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)ethanamine (PubChem CID 81057244) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)ethanamine.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)ethanamine
PubChem CID81057244
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)ethanamine
SMILESNCCOCc1nnc2n1CCCC2
InChIInChI=1S/C9H16N4O/c10-4-6-14-7-9-12-11-8-3-1-2-5-13(8)9/h1-7,10H2
InChIKeyXQMHQFCVTYKYJH-UHFFFAOYSA-N
XLogP0.09
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)ethanamine?
The IUPAC name of 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)ethanamine (CID 81057244) is 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)ethanamine.
What is the SMILES notation for 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)ethanamine?
The canonical SMILES for 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)ethanamine is NCCOCc1nnc2n1CCCC2.
What is the InChIKey of 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)ethanamine?
The InChIKey is XQMHQFCVTYKYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c10-4-6-14-7-9-12-11-8-3-1-2-5-13(8)9/h1-7,10H2.
What are the key properties of 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)ethanamine?
2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)ethanamine has a molecular weight of 196.25 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)ethanamine is sourced from PubChem (CID 81057244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).