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

C12H16N4O — CID 103884458

IUPAC1-(3-methoxyphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCOc1cccc(CNCc2ncn(C)n2)c1
InChIInChI=1S/C12H16N4O/c1-16-9-14-12(15-16)8-13-7-10-4-3-5-11(6-10)17-2/h3-6,9,13H,7-8H2,1-2H3
InChIKeyDVNZMAKHRWSRJV-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.11
Rot. Bonds5

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

1-(3-methoxyphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 103884458) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID103884458
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-(3-methoxyphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCOc1cccc(CNCc2ncn(C)n2)c1
InChIInChI=1S/C12H16N4O/c1-16-9-14-12(15-16)8-13-7-10-4-3-5-11(6-10)17-2/h3-6,9,13H,7-8H2,1-2H3
InChIKeyDVNZMAKHRWSRJV-UHFFFAOYSA-N
XLogP1.11
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)methanamine
CID 19618925
1-(3-methoxyphenyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine
CID 62473866
1-[4-(methoxymethyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884557
1-(3-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760836
N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 54940038
1-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126965504
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 738572
4-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzene-1,2-diol
CID 103953804
1-(3-methoxyphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
CID 47611472
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 65022037
2-[3-[[(3-methoxyphenyl)methylamino]methyl]phenoxy]acetonitrile
CID 60874118
2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 60657937

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(3-methoxyphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 103884458) is 1-(3-methoxyphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine is COc1cccc(CNCc2ncn(C)n2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is DVNZMAKHRWSRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16-9-14-12(15-16)8-13-7-10-4-3-5-11(6-10)17-2/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
1-(3-methoxyphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 232.29 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 103884458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).