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

C11H20N4O — CID 81251382

IUPAC2-methoxy-N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]ethanamine
SMILESCOCCNCc1nnc2n1CCC(C)C2
InChIInChI=1S/C11H20N4O/c1-9-3-5-15-10(7-9)13-14-11(15)8-12-4-6-16-2/h9,12H,3-8H2,1-2H3
InChIKeyPFUQVHAJEXAENW-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.60
Rot. Bonds5

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

2-methoxy-N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]ethanamine (PubChem CID 81251382) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-methoxy-N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]ethanamine
PubChem CID81251382
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-methoxy-N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]ethanamine
SMILESCOCCNCc1nnc2n1CCC(C)C2
InChIInChI=1S/C11H20N4O/c1-9-3-5-15-10(7-9)13-14-11(15)8-12-4-6-16-2/h9,12H,3-8H2,1-2H3
InChIKeyPFUQVHAJEXAENW-UHFFFAOYSA-N
XLogP0.60
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.60
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-methoxy-N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]ethanamine (CID 81251382) is 2-methoxy-N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]ethanamine is COCCNCc1nnc2n1CCC(C)C2.
What is the InChIKey of 2-methoxy-N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]ethanamine?
The InChIKey is PFUQVHAJEXAENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9-3-5-15-10(7-9)13-14-11(15)8-12-4-6-16-2/h9,12H,3-8H2,1-2H3.
What are the key properties of 2-methoxy-N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]ethanamine?
2-methoxy-N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]ethanamine has a molecular weight of 224.31 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]ethanamine is sourced from PubChem (CID 81251382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).