[5-[(2-methoxyphenoxy)methyl]-1-methyltriazol-4-yl]methanamine

C12H16N4O2 — CID 82207915

IUPAC[5-[(2-methoxyphenoxy)methyl]-1-methyltriazol-4-yl]methanamine
SMILESCOc1ccccc1OCc1c(CN)nnn1C
InChIInChI=1S/C12H16N4O2/c1-16-10(9(7-13)14-15-16)8-18-12-6-4-3-5-11(12)17-2/h3-6H,7-8,13H2,1-2H3
InChIKeyDHHPZLBIWHCOCE-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.86
Rot. Bonds5

About [5-[(2-methoxyphenoxy)methyl]-1-methyltriazol-4-yl]methanamine

[5-[(2-methoxyphenoxy)methyl]-1-methyltriazol-4-yl]methanamine (PubChem CID 82207915) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is [5-[(2-methoxyphenoxy)methyl]-1-methyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-[(2-methoxyphenoxy)methyl]-1-methyltriazol-4-yl]methanamine
PubChem CID82207915
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name[5-[(2-methoxyphenoxy)methyl]-1-methyltriazol-4-yl]methanamine
SMILESCOc1ccccc1OCc1c(CN)nnn1C
InChIInChI=1S/C12H16N4O2/c1-16-10(9(7-13)14-15-16)8-18-12-6-4-3-5-11(12)17-2/h3-6H,7-8,13H2,1-2H3
InChIKeyDHHPZLBIWHCOCE-UHFFFAOYSA-N
XLogP0.86
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-[(2-methoxyphenoxy)methyl]-1-methyltriazol-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[(2-chlorophenoxy)methyl]-1-methyltriazol-4-yl]methanamine
CID 82207921
3-[4-(hydroxymethyl)-5-[(2-methoxyphenoxy)methyl]triazol-1-yl]propan-1-ol
CID 82211554
[5-[(2-chlorophenoxy)methyl]-1-pentyltriazol-4-yl]methanamine
CID 94944035
[2-[(2-methoxyphenoxy)methyl]-3-pyridinyl]methanamine
CID 114199233
[5-[(2-methoxyphenoxy)methyl]-1-(2-methylprop-2-enyl)triazol-4-yl]methanol
CID 82210779
5-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-amine
CID 117214469
4-[(2-methoxyphenoxy)methyl]-1-methylimidazol-2-amine
CID 117191477
1-(chloromethoxy)-2-methoxybenzene
CID 12696124
[5-(phenoxymethyl)-1-propan-2-yltriazol-4-yl]methanamine
CID 82207066
[5-[(2,4-dichlorophenoxy)methyl]-1-methyltriazol-4-yl]methanol
CID 82207746
2-[4-(aminomethyl)-5-(2-methoxyphenyl)triazol-1-yl]ethanol
CID 82210106
[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanamine
CID 55077285

Frequently Asked Questions

What is the IUPAC name of [5-[(2-methoxyphenoxy)methyl]-1-methyltriazol-4-yl]methanamine?
The IUPAC name of [5-[(2-methoxyphenoxy)methyl]-1-methyltriazol-4-yl]methanamine (CID 82207915) is [5-[(2-methoxyphenoxy)methyl]-1-methyltriazol-4-yl]methanamine.
What is the SMILES notation for [5-[(2-methoxyphenoxy)methyl]-1-methyltriazol-4-yl]methanamine?
The canonical SMILES for [5-[(2-methoxyphenoxy)methyl]-1-methyltriazol-4-yl]methanamine is COc1ccccc1OCc1c(CN)nnn1C.
What is the InChIKey of [5-[(2-methoxyphenoxy)methyl]-1-methyltriazol-4-yl]methanamine?
The InChIKey is DHHPZLBIWHCOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-16-10(9(7-13)14-15-16)8-18-12-6-4-3-5-11(12)17-2/h3-6H,7-8,13H2,1-2H3.
What are the key properties of [5-[(2-methoxyphenoxy)methyl]-1-methyltriazol-4-yl]methanamine?
[5-[(2-methoxyphenoxy)methyl]-1-methyltriazol-4-yl]methanamine has a molecular weight of 248.29 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methoxyphenoxy)methyl]-1-methyltriazol-4-yl]methanamine is sourced from PubChem (CID 82207915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).