1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methylphenyl]-N-ethylethanamine

C16H24N4O — CID 43525056

IUPAC1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methylphenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(C)ccc1OCc1nnc(C)n1C
InChIInChI=1S/C16H24N4O/c1-6-17-12(3)14-9-11(2)7-8-15(14)21-10-16-19-18-13(4)20(16)5/h7-9,12,17H,6,10H2,1-5H3
InChIKeyUODGNBAXQZZYBJ-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.68
Rot. Bonds6

About 1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methylphenyl]-N-ethylethanamine

1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methylphenyl]-N-ethylethanamine (PubChem CID 43525056) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methylphenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methylphenyl]-N-ethylethanamine
PubChem CID43525056
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methylphenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(C)ccc1OCc1nnc(C)n1C
InChIInChI=1S/C16H24N4O/c1-6-17-12(3)14-9-11(2)7-8-15(14)21-10-16-19-18-13(4)20(16)5/h7-9,12,17H,6,10H2,1-5H3
InChIKeyUODGNBAXQZZYBJ-UHFFFAOYSA-N
XLogP2.68
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylphenyl]-N-ethylethanamine
CID 63640814
1-(2-butoxy-5-methylphenyl)-N-ethylethanamine
CID 43505150
(1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylphenyl]ethanol
CID 63650922
N-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine
CID 43505152
N-ethyl-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-5-methylphenyl]ethanamine
CID 61497220
N-ethyl-1-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
CID 43505142
N-ethyl-1-[5-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
CID 112640352
N-ethyl-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 43505172
(1R)-1-[5-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 78933015
2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]acetonitrile
CID 60887297
1-[2-[(3-chlorophenyl)methoxy]-5-methylphenyl]-N-ethylethanamine
CID 63500464
1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]-N-ethylpropan-2-amine
CID 115494866

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methylphenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methylphenyl]-N-ethylethanamine (CID 43525056) is 1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methylphenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methylphenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methylphenyl]-N-ethylethanamine is CCNC(C)c1cc(C)ccc1OCc1nnc(C)n1C.
What is the InChIKey of 1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methylphenyl]-N-ethylethanamine?
The InChIKey is UODGNBAXQZZYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-6-17-12(3)14-9-11(2)7-8-15(14)21-10-16-19-18-13(4)20(16)5/h7-9,12,17H,6,10H2,1-5H3.
What are the key properties of 1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methylphenyl]-N-ethylethanamine?
1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methylphenyl]-N-ethylethanamine has a molecular weight of 288.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methylphenyl]-N-ethylethanamine is sourced from PubChem (CID 43525056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).