[3-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine

C11H20N4O — CID 103028646

IUPAC[3-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
SMILESCOC(C)(C)c1nnc2n1CCC(CN)C2
InChIInChI=1S/C11H20N4O/c1-11(2,16-3)10-14-13-9-6-8(7-12)4-5-15(9)10/h8H,4-7,12H2,1-3H3
InChIKeyJPGFQLVKWNSOLZ-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.68
Rot. Bonds3

About [3-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine

[3-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine (PubChem CID 103028646) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is [3-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine.

Molecular Properties

Compound Name[3-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
PubChem CID103028646
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name[3-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
SMILESCOC(C)(C)c1nnc2n1CCC(CN)C2
InChIInChI=1S/C11H20N4O/c1-11(2,16-3)10-14-13-9-6-8(7-12)4-5-15(9)10/h8H,4-7,12H2,1-3H3
InChIKeyJPGFQLVKWNSOLZ-UHFFFAOYSA-N
XLogP0.68
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The IUPAC name of [3-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine (CID 103028646) is [3-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine.
What is the SMILES notation for [3-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The canonical SMILES for [3-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine is COC(C)(C)c1nnc2n1CCC(CN)C2.
What is the InChIKey of [3-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The InChIKey is JPGFQLVKWNSOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-11(2,16-3)10-14-13-9-6-8(7-12)4-5-15(9)10/h8H,4-7,12H2,1-3H3.
What are the key properties of [3-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
[3-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine has a molecular weight of 224.31 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine is sourced from PubChem (CID 103028646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).