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

C12H16N4O — CID 82475262

IUPAC[5-[(4-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCOc1ccc(Cc2nc(CN)nn2C)cc1
InChIInChI=1S/C12H16N4O/c1-16-12(14-11(8-13)15-16)7-9-3-5-10(17-2)6-4-9/h3-6H,7-8,13H2,1-2H3
InChIKeyCMMMXTNVSCVNBB-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.87
Rot. Bonds4

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

[5-[(4-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 82475262) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is [5-[(4-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(4-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
PubChem CID82475262
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name[5-[(4-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCOc1ccc(Cc2nc(CN)nn2C)cc1
InChIInChI=1S/C12H16N4O/c1-16-12(14-11(8-13)15-16)7-9-3-5-10(17-2)6-4-9/h3-6H,7-8,13H2,1-2H3
InChIKeyCMMMXTNVSCVNBB-UHFFFAOYSA-N
XLogP0.87
TPSA65.96 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 ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-[(4-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-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-(4-methoxyphenyl)ethyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 96662791
[5-[(3-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82475274
[5-[(5-ethyl-2-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 96665644
[5-[2-(3-methoxyphenyl)ethyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 96662789
2-[5-[(4-chlorophenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82481043
2-[5-[(4-ethoxyphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 98017072
[1-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]methanamine
CID 82472130
[5-(2-chloro-4-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82481633
[5-(3-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82472128
[5-[(4-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine
CID 28966353
[4-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82557940
5-[(4-aminophenyl)methyl]-1-methyl-1,2,4-triazol-3-amine
CID 84671647

Frequently Asked Questions

What is the IUPAC name of [5-[(4-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-[(4-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine (CID 82475262) is [5-[(4-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-[(4-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-[(4-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine is COc1ccc(Cc2nc(CN)nn2C)cc1.
What is the InChIKey of [5-[(4-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is CMMMXTNVSCVNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16-12(14-11(8-13)15-16)7-9-3-5-10(17-2)6-4-9/h3-6H,7-8,13H2,1-2H3.
What are the key properties of [5-[(4-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine?
[5-[(4-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 232.29 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 82475262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).