3-(methoxymethyl)-N-[(3-methyltriazol-4-yl)methyl]aniline

C12H16N4O — CID 113252285

IUPAC3-(methoxymethyl)-N-[(3-methyltriazol-4-yl)methyl]aniline
SMILESCOCc1cccc(NCc2cnnn2C)c1
InChIInChI=1S/C12H16N4O/c1-16-12(8-14-15-16)7-13-11-5-3-4-10(6-11)9-17-2/h3-6,8,13H,7,9H2,1-2H3
InChIKeyDMUXTTBSZGXBQL-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.57
Rot. Bonds5

About 3-(methoxymethyl)-N-[(3-methyltriazol-4-yl)methyl]aniline

3-(methoxymethyl)-N-[(3-methyltriazol-4-yl)methyl]aniline (PubChem CID 113252285) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[(3-methyltriazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[(3-methyltriazol-4-yl)methyl]aniline
PubChem CID113252285
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-(methoxymethyl)-N-[(3-methyltriazol-4-yl)methyl]aniline
SMILESCOCc1cccc(NCc2cnnn2C)c1
InChIInChI=1S/C12H16N4O/c1-16-12(8-14-15-16)7-13-11-5-3-4-10(6-11)9-17-2/h3-6,8,13H,7,9H2,1-2H3
InChIKeyDMUXTTBSZGXBQL-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 115682400
3-(methoxymethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 43672041
N-benzyl-3-(methoxymethyl)aniline
CID 43672166
3-(methoxymethyl)-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66411319
3-butan-2-yloxy-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 115682485
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-(methoxymethyl)aniline
CID 54965119
N-[(1-ethylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline
CID 62126525
3-(methoxymethyl)-N-[(1-methylindol-3-yl)methyl]aniline
CID 107234938
N-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672072
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline
CID 112549349
N-[(3-methyltriazol-4-yl)methyl]pyrimidin-5-amine
CID 107587777
3-(methoxymethyl)-N-(naphthalen-2-ylmethyl)aniline
CID 43672062

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[(3-methyltriazol-4-yl)methyl]aniline?
The IUPAC name of 3-(methoxymethyl)-N-[(3-methyltriazol-4-yl)methyl]aniline (CID 113252285) is 3-(methoxymethyl)-N-[(3-methyltriazol-4-yl)methyl]aniline.
What is the SMILES notation for 3-(methoxymethyl)-N-[(3-methyltriazol-4-yl)methyl]aniline?
The canonical SMILES for 3-(methoxymethyl)-N-[(3-methyltriazol-4-yl)methyl]aniline is COCc1cccc(NCc2cnnn2C)c1.
What is the InChIKey of 3-(methoxymethyl)-N-[(3-methyltriazol-4-yl)methyl]aniline?
The InChIKey is DMUXTTBSZGXBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16-12(8-14-15-16)7-13-11-5-3-4-10(6-11)9-17-2/h3-6,8,13H,7,9H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-N-[(3-methyltriazol-4-yl)methyl]aniline?
3-(methoxymethyl)-N-[(3-methyltriazol-4-yl)methyl]aniline has a molecular weight of 232.29 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[(3-methyltriazol-4-yl)methyl]aniline is sourced from PubChem (CID 113252285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).