2-methoxy-2-(oxan-4-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]ethanamine

C17H24N4O2 — CID 126828254

IUPAC2-methoxy-2-(oxan-4-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCOC(CNCc1nncn1-c1ccccc1)C1CCOCC1
InChIInChI=1S/C17H24N4O2/c1-22-16(14-7-9-23-10-8-14)11-18-12-17-20-19-13-21(17)15-5-3-2-4-6-15/h2-6,13-14,16,18H,7-12H2,1H3
InChIKeyUHMUWOHBTIGSLA-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.80
Rot. Bonds7

About 2-methoxy-2-(oxan-4-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]ethanamine

2-methoxy-2-(oxan-4-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]ethanamine (PubChem CID 126828254) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-methoxy-2-(oxan-4-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-2-(oxan-4-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]ethanamine
PubChem CID126828254
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name2-methoxy-2-(oxan-4-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCOC(CNCc1nncn1-c1ccccc1)C1CCOCC1
InChIInChI=1S/C17H24N4O2/c1-22-16(14-7-9-23-10-8-14)11-18-12-17-20-19-13-21(17)15-5-3-2-4-6-15/h2-6,13-14,16,18H,7-12H2,1H3
InChIKeyUHMUWOHBTIGSLA-UHFFFAOYSA-N
XLogP1.80
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(oxan-4-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-2-(oxan-4-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]ethanamine (CID 126828254) is 2-methoxy-2-(oxan-4-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-2-(oxan-4-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-2-(oxan-4-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]ethanamine is COC(CNCc1nncn1-c1ccccc1)C1CCOCC1.
What is the InChIKey of 2-methoxy-2-(oxan-4-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The InChIKey is UHMUWOHBTIGSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-22-16(14-7-9-23-10-8-14)11-18-12-17-20-19-13-21(17)15-5-3-2-4-6-15/h2-6,13-14,16,18H,7-12H2,1H3.
What are the key properties of 2-methoxy-2-(oxan-4-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]ethanamine?
2-methoxy-2-(oxan-4-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]ethanamine has a molecular weight of 316.40 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(oxan-4-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 126828254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).