3-(2-methyloxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine

C11H14N4O — CID 79762655

IUPAC3-(2-methyloxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCC1OCCC1c1nnc2ccc(N)cn12
InChIInChI=1S/C11H14N4O/c1-7-9(4-5-16-7)11-14-13-10-3-2-8(12)6-15(10)11/h2-3,6-7,9H,4-5,12H2,1H3
InChIKeyMYEDRNZMJZTVMZ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.20
Rot. Bonds1

About 3-(2-methyloxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine

3-(2-methyloxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 79762655) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(2-methyloxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name3-(2-methyloxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID79762655
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-(2-methyloxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCC1OCCC1c1nnc2ccc(N)cn12
InChIInChI=1S/C11H14N4O/c1-7-9(4-5-16-7)11-14-13-10-3-2-8(12)6-15(10)11/h2-3,6-7,9H,4-5,12H2,1H3
InChIKeyMYEDRNZMJZTVMZ-UHFFFAOYSA-N
XLogP1.20
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyloxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 3-(2-methyloxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 79762655) is 3-(2-methyloxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 3-(2-methyloxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 3-(2-methyloxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is CC1OCCC1c1nnc2ccc(N)cn12.
What is the InChIKey of 3-(2-methyloxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is MYEDRNZMJZTVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-7-9(4-5-16-7)11-14-13-10-3-2-8(12)6-15(10)11/h2-3,6-7,9H,4-5,12H2,1H3.
What are the key properties of 3-(2-methyloxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
3-(2-methyloxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 218.26 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyloxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 79762655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).