2-[1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine

C11H14N4O — CID 83821894

IUPAC2-[1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCOc1ccccc1-n1cnc(CCN)n1
InChIInChI=1S/C11H14N4O/c1-16-10-5-3-2-4-9(10)15-8-13-11(14-15)6-7-12/h2-5,8H,6-7,12H2,1H3
InChIKeyXKEBQGFMSVSTKB-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.78
Rot. Bonds4

About 2-[1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine

2-[1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine (PubChem CID 83821894) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine
PubChem CID83821894
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-[1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCOc1ccccc1-n1cnc(CCN)n1
InChIInChI=1S/C11H14N4O/c1-16-10-5-3-2-4-9(10)15-8-13-11(14-15)6-7-12/h2-5,8H,6-7,12H2,1H3
InChIKeyXKEBQGFMSVSTKB-UHFFFAOYSA-N
XLogP0.78
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-3-methyl-1,2,4-triazole
CID 70266988
2-[1-(2-methoxyphenyl)-5-methylimidazol-2-yl]ethanamine
CID 83894917
2-[1-(2-methoxyphenyl)imidazol-4-yl]ethanamine
CID 82471834
[1-(2-methoxyphenyl)imidazol-4-yl]methanamine
CID 82469793
2-[5-methoxy-1-(2-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
CID 117123596
4-(2-aminoethyl)-1-(2-methoxyphenyl)pyrazole-3,5-diamine
CID 115056392
3-[1-(2-methoxyphenyl)triazol-4-yl]propan-1-amine
CID 84695827
2-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethanamine
CID 83820004
2-(2-methoxyphenyl)pyrazolo[3,4-b]pyridine
CID 70093839
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
2-[5-[(2-methoxyphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96662808
3-[1-(2-methoxyphenyl)pyrrol-2-yl]propan-1-amine
CID 170879075

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 2-[1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine (CID 83821894) is 2-[1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine is COc1ccccc1-n1cnc(CCN)n1.
What is the InChIKey of 2-[1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is XKEBQGFMSVSTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-16-10-5-3-2-4-9(10)15-8-13-11(14-15)6-7-12/h2-5,8H,6-7,12H2,1H3.
What are the key properties of 2-[1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine?
2-[1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 218.26 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 83821894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).