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

C12H16N4O — CID 82475274

IUPAC[5-[(3-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCOc1cccc(Cc2nc(CN)nn2C)c1
InChIInChI=1S/C12H16N4O/c1-16-12(14-11(8-13)15-16)7-9-4-3-5-10(6-9)17-2/h3-6H,7-8,13H2,1-2H3
InChIKeyDRUCXKXKBQHPMP-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.87
Rot. Bonds4

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

[5-[(3-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 82475274) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is [5-[(3-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(3-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
PubChem CID82475274
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name[5-[(3-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCOc1cccc(Cc2nc(CN)nn2C)c1
InChIInChI=1S/C12H16N4O/c1-16-12(14-11(8-13)15-16)7-9-4-3-5-10(6-9)17-2/h3-6H,7-8,13H2,1-2H3
InChIKeyDRUCXKXKBQHPMP-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

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Related Compounds

[5-[2-(3-methoxyphenyl)ethyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 96662789
[5-(3-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82472128
[5-[2-(4-methoxyphenyl)ethyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 96662791
[1-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]methanamine
CID 82472130
[2-[(3-methoxyphenyl)methyl]-5-methylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 82223591
[5-[(3-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine
CID 28965499
4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-5-amine
CID 82024382
2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 61262732
[3-[(3-methoxyphenyl)methyl]imidazo[1,5-a]pyridin-8-yl]methanamine
CID 117145821
N'-[5-[(3-methoxyphenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine
CID 117210316
8-bromo-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117137276
2-bromo-6-[(3-methoxyphenyl)methyl]pyridine
CID 54045863

Frequently Asked Questions

What is the IUPAC name of [5-[(3-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-[(3-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine (CID 82475274) is [5-[(3-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-[(3-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-[(3-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine is COc1cccc(Cc2nc(CN)nn2C)c1.
What is the InChIKey of [5-[(3-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is DRUCXKXKBQHPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16-12(14-11(8-13)15-16)7-9-4-3-5-10(6-9)17-2/h3-6H,7-8,13H2,1-2H3.
What are the key properties of [5-[(3-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine?
[5-[(3-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-[(3-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 82475274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).