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

C11H14N4O — CID 115682400

IUPAC3-methoxy-N-[(3-methyltriazol-4-yl)methyl]aniline
SMILESCOc1cccc(NCc2cnnn2C)c1
InChIInChI=1S/C11H14N4O/c1-15-10(8-13-14-15)7-12-9-4-3-5-11(6-9)16-2/h3-6,8,12H,7H2,1-2H3
InChIKeyOBGUHXIBZIUHPJ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.44
Rot. Bonds4

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

3-methoxy-N-[(3-methyltriazol-4-yl)methyl]aniline (PubChem CID 115682400) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-methoxy-N-[(3-methyltriazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-methoxy-N-[(3-methyltriazol-4-yl)methyl]aniline
PubChem CID115682400
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-methoxy-N-[(3-methyltriazol-4-yl)methyl]aniline
SMILESCOc1cccc(NCc2cnnn2C)c1
InChIInChI=1S/C11H14N4O/c1-15-10(8-13-14-15)7-12-9-4-3-5-11(6-9)16-2/h3-6,8,12H,7H2,1-2H3
InChIKeyOBGUHXIBZIUHPJ-UHFFFAOYSA-N
XLogP1.44
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-butan-2-yloxy-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 115682485
3-(methoxymethyl)-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 113252285
3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 75389970
3-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132525
2-methoxy-5-[(3-methyltriazol-4-yl)methylamino]pyridine-3-carbonitrile
CID 136572888
3-methoxy-N-(pyrimidin-2-ylmethyl)aniline
CID 62698211
N-[(3-methyltriazol-4-yl)methyl]pyrimidin-5-amine
CID 107587777
3-bromo-N-[(3-methyltriazol-4-yl)methyl]-4-(trifluoromethoxy)aniline
CID 107336003
ethane;N-ethyl-3-methoxyaniline
CID 142222302
3-methoxy-N-[(2-phenyltriazol-4-yl)methyl]aniline
CID 28774635
3-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941546
N-[(4-iodophenyl)methyl]-3-methoxyaniline
CID 65478997

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(3-methyltriazol-4-yl)methyl]aniline?
The IUPAC name of 3-methoxy-N-[(3-methyltriazol-4-yl)methyl]aniline (CID 115682400) is 3-methoxy-N-[(3-methyltriazol-4-yl)methyl]aniline.
What is the SMILES notation for 3-methoxy-N-[(3-methyltriazol-4-yl)methyl]aniline?
The canonical SMILES for 3-methoxy-N-[(3-methyltriazol-4-yl)methyl]aniline is COc1cccc(NCc2cnnn2C)c1.
What is the InChIKey of 3-methoxy-N-[(3-methyltriazol-4-yl)methyl]aniline?
The InChIKey is OBGUHXIBZIUHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-15-10(8-13-14-15)7-12-9-4-3-5-11(6-9)16-2/h3-6,8,12H,7H2,1-2H3.
What are the key properties of 3-methoxy-N-[(3-methyltriazol-4-yl)methyl]aniline?
3-methoxy-N-[(3-methyltriazol-4-yl)methyl]aniline has a molecular weight of 218.26 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(3-methyltriazol-4-yl)methyl]aniline is sourced from PubChem (CID 115682400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).