[3-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine

C11H14N4O — CID 82200722

IUPAC[3-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine
SMILESCOc1ccc(C)cc1-n1nncc1CN
InChIInChI=1S/C11H14N4O/c1-8-3-4-11(16-2)10(5-8)15-9(6-12)7-13-14-15/h3-5,7H,6,12H2,1-2H3
InChIKeyVSYFJJSHNUIBGZ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.04
Rot. Bonds3

About [3-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine

[3-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine (PubChem CID 82200722) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is [3-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine
PubChem CID82200722
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name[3-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine
SMILESCOc1ccc(C)cc1-n1nncc1CN
InChIInChI=1S/C11H14N4O/c1-8-3-4-11(16-2)10(5-8)15-9(6-12)7-13-14-15/h3-5,7H,6,12H2,1-2H3
InChIKeyVSYFJJSHNUIBGZ-UHFFFAOYSA-N
XLogP1.04
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2-fluoro-4-methylphenyl)triazol-4-yl]methanamine
CID 82507073
[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine
CID 62738146
[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]methanamine
CID 56772111
[1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazol-4-yl]methanamine
CID 82200710
[1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine;hydrochloride
CID 139023294
[2-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine
CID 82285789
2-[3-(4-chloro-2,5-dimethoxyphenyl)triazol-4-yl]ethanamine
CID 82197289
[5-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine
CID 94940092
[1-(2-methoxy-5-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanamine
CID 82200714
1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 82200726
2-[1-(2-methoxy-5-methylphenyl)-5-methylpyrazol-3-yl]acetonitrile
CID 82084697
1-(2-methoxy-5-methylphenyl)-5-methylsulfanyltetrazole
CID 8897883

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine?
The IUPAC name of [3-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine (CID 82200722) is [3-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine.
What is the SMILES notation for [3-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine?
The canonical SMILES for [3-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine is COc1ccc(C)cc1-n1nncc1CN.
What is the InChIKey of [3-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine?
The InChIKey is VSYFJJSHNUIBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-3-4-11(16-2)10(5-8)15-9(6-12)7-13-14-15/h3-5,7H,6,12H2,1-2H3.
What are the key properties of [3-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine?
[3-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine has a molecular weight of 218.26 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine is sourced from PubChem (CID 82200722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).