2-methoxy-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethanamine

C12H16N4O — CID 106110822

IUPAC2-methoxy-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethanamine
SMILESCOC(CN)c1nnc(C)n1-c1ccccc1
InChIInChI=1S/C12H16N4O/c1-9-14-15-12(11(8-13)17-2)16(9)10-6-4-3-5-7-10/h3-7,11H,8,13H2,1-2H3
InChIKeyZJBVIWNQWXPHCY-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.22
Rot. Bonds4

About 2-methoxy-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethanamine

2-methoxy-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 106110822) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-methoxy-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-methoxy-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID106110822
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-methoxy-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethanamine
SMILESCOC(CN)c1nnc(C)n1-c1ccccc1
InChIInChI=1S/C12H16N4O/c1-9-14-15-12(11(8-13)17-2)16(9)10-6-4-3-5-7-10/h3-7,11H,8,13H2,1-2H3
InChIKeyZJBVIWNQWXPHCY-UHFFFAOYSA-N
XLogP1.22
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-3-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)propan-1-amine
CID 103160292
3-methyl-1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-1-amine
CID 61360765
2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methoxyethanamine
CID 106110821
2-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-1-amine
CID 82013823
2-[[5-[(1R)-1-methoxypropyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 95122986
(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-pyridin-2-ylmethanethiol
CID 21157135
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 82044169
3-(chloromethyl)-5-methyl-4-phenyl-1,2,4-triazole
CID 79021080
2-[2-(2-amino-1-methoxyethyl)benzimidazol-1-yl]ethanol
CID 106108732
tris(3-methyl-4,5-diphenyl-1,2,4-triazole);ruthenium(3+)
CID 158954413
5-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 82848778
3-ethylsulfanyl-5-methyl-4-phenyl-1,2,4-triazole
CID 7205487

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 2-methoxy-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethanamine (CID 106110822) is 2-methoxy-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 2-methoxy-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 2-methoxy-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethanamine is COC(CN)c1nnc(C)n1-c1ccccc1.
What is the InChIKey of 2-methoxy-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is ZJBVIWNQWXPHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9-14-15-12(11(8-13)17-2)16(9)10-6-4-3-5-7-10/h3-7,11H,8,13H2,1-2H3.
What are the key properties of 2-methoxy-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethanamine?
2-methoxy-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 232.29 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 106110822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).