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

C10H18N4O — CID 106110929

IUPAC2-methoxy-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
SMILESCOC(CN)c1nnc2n1CCC(C)C2
InChIInChI=1S/C10H18N4O/c1-7-3-4-14-9(5-7)12-13-10(14)8(6-11)15-2/h7-8H,3-6,11H2,1-2H3
InChIKeyIBFVACHYSDNSDX-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.51
Rot. Bonds3

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

2-methoxy-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (PubChem CID 106110929) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-methoxy-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine.

Molecular Properties

Compound Name2-methoxy-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
PubChem CID106110929
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-methoxy-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
SMILESCOC(CN)c1nnc2n1CCC(C)C2
InChIInChI=1S/C10H18N4O/c1-7-3-4-14-9(5-7)12-13-10(14)8(6-11)15-2/h7-8H,3-6,11H2,1-2H3
InChIKeyIBFVACHYSDNSDX-UHFFFAOYSA-N
XLogP0.51
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The IUPAC name of 2-methoxy-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (CID 106110929) is 2-methoxy-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine.
What is the SMILES notation for 2-methoxy-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The canonical SMILES for 2-methoxy-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine is COC(CN)c1nnc2n1CCC(C)C2.
What is the InChIKey of 2-methoxy-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The InChIKey is IBFVACHYSDNSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7-3-4-14-9(5-7)12-13-10(14)8(6-11)15-2/h7-8H,3-6,11H2,1-2H3.
What are the key properties of 2-methoxy-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
2-methoxy-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine has a molecular weight of 210.28 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine is sourced from PubChem (CID 106110929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).