[5-[(5-ethyl-2-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine

C14H20N4O — CID 96665644

IUPAC[5-[(5-ethyl-2-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCCc1ccc(OC)c(Cc2nc(CN)nn2C)c1
InChIInChI=1S/C14H20N4O/c1-4-10-5-6-12(19-3)11(7-10)8-14-16-13(9-15)17-18(14)2/h5-7H,4,8-9,15H2,1-3H3
InChIKeyZCXRJWLCSQSSNX-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.44
Rot. Bonds5

About [5-[(5-ethyl-2-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine

[5-[(5-ethyl-2-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 96665644) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is [5-[(5-ethyl-2-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(5-ethyl-2-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
PubChem CID96665644
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name[5-[(5-ethyl-2-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCCc1ccc(OC)c(Cc2nc(CN)nn2C)c1
InChIInChI=1S/C14H20N4O/c1-4-10-5-6-12(19-3)11(7-10)8-14-16-13(9-15)17-18(14)2/h5-7H,4,8-9,15H2,1-3H3
InChIKeyZCXRJWLCSQSSNX-UHFFFAOYSA-N
XLogP1.44
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(4-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82475262
2-[5-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96665640
[5-[(3-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82475274
[5-[2-(4-methoxyphenyl)ethyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 96662791
2-[5-[(2-methoxyphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96662808
[5-[2-(3-methoxyphenyl)ethyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 96662789
N'-[(5-ethyl-2-methoxyphenyl)methyl]methanediamine
CID 115225717
2-(bromomethyl)-4-ethyl-1-methoxybenzene
CID 116932379
2-[5-(3-ethyl-4-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96665628
5-[(5-ethyl-2-methoxyphenyl)methyl]-1H-pyrazol-3-amine
CID 82082137
[5-(2-methoxy-4,6-dimethylphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82479524
2-[4-(5-ethyl-2-methoxyphenyl)-2-methylimidazol-1-yl]ethanamine
CID 95466234

Frequently Asked Questions

What is the IUPAC name of [5-[(5-ethyl-2-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-[(5-ethyl-2-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine (CID 96665644) is [5-[(5-ethyl-2-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-[(5-ethyl-2-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-[(5-ethyl-2-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine is CCc1ccc(OC)c(Cc2nc(CN)nn2C)c1.
What is the InChIKey of [5-[(5-ethyl-2-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is ZCXRJWLCSQSSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-10-5-6-12(19-3)11(7-10)8-14-16-13(9-15)17-18(14)2/h5-7H,4,8-9,15H2,1-3H3.
What are the key properties of [5-[(5-ethyl-2-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine?
[5-[(5-ethyl-2-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 260.34 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-ethyl-2-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 96665644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).