1-[3-(3-methoxyphenyl)triazol-4-yl]-N-methylethanamine

C12H16N4O — CID 117167252

IUPAC1-[3-(3-methoxyphenyl)triazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1cnnn1-c1cccc(OC)c1
InChIInChI=1S/C12H16N4O/c1-9(13-2)12-8-14-15-16(12)10-5-4-6-11(7-10)17-3/h4-9,13H,1-3H3
InChIKeyXBKVLXPMYMOLGW-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.56
Rot. Bonds4

About 1-[3-(3-methoxyphenyl)triazol-4-yl]-N-methylethanamine

1-[3-(3-methoxyphenyl)triazol-4-yl]-N-methylethanamine (PubChem CID 117167252) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-[3-(3-methoxyphenyl)triazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-(3-methoxyphenyl)triazol-4-yl]-N-methylethanamine
PubChem CID117167252
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-[3-(3-methoxyphenyl)triazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1cnnn1-c1cccc(OC)c1
InChIInChI=1S/C12H16N4O/c1-9(13-2)12-8-14-15-16(12)10-5-4-6-11(7-10)17-3/h4-9,13H,1-3H3
InChIKeyXBKVLXPMYMOLGW-UHFFFAOYSA-N
XLogP1.56
TPSA51.97 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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(3-methoxyphenyl)triazol-4-yl]-N-methylethanamine 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

3-(3-methoxyphenyl)triazol-4-amine
CID 105444137
(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684694
1-[3-(4-chlorophenyl)triazol-4-yl]-N-methylethanamine
CID 117167372
1-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-methylethanamine
CID 105489793
1-[3-(3-methoxyphenyl)triazol-4-yl]propan-2-one
CID 117167208
2-[5-[1-(methylamino)ethyl]triazol-1-yl]phenol
CID 117167122
(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685545
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084879
1-[3-(3-fluorophenyl)triazol-4-yl]ethanamine
CID 117167242
1-[3-(3-chlorophenyl)triazol-4-yl]ethanol
CID 117167214
5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]triazole
CID 134105821
1-(3-methoxyphenyl)-5-propan-2-yltriazol-4-amine
CID 79501179

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxyphenyl)triazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[3-(3-methoxyphenyl)triazol-4-yl]-N-methylethanamine (CID 117167252) is 1-[3-(3-methoxyphenyl)triazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[3-(3-methoxyphenyl)triazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[3-(3-methoxyphenyl)triazol-4-yl]-N-methylethanamine is CNC(C)c1cnnn1-c1cccc(OC)c1.
What is the InChIKey of 1-[3-(3-methoxyphenyl)triazol-4-yl]-N-methylethanamine?
The InChIKey is XBKVLXPMYMOLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9(13-2)12-8-14-15-16(12)10-5-4-6-11(7-10)17-3/h4-9,13H,1-3H3.
What are the key properties of 1-[3-(3-methoxyphenyl)triazol-4-yl]-N-methylethanamine?
1-[3-(3-methoxyphenyl)triazol-4-yl]-N-methylethanamine has a molecular weight of 232.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxyphenyl)triazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 117167252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).