[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine

C11H14N4O — CID 28911796

IUPAC[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine
SMILESCOc1cccc(-n2nnc(CN)c2C)c1
InChIInChI=1S/C11H14N4O/c1-8-11(7-12)13-14-15(8)9-4-3-5-10(6-9)16-2/h3-6H,7,12H2,1-2H3
InChIKeyHLUGKYYZBJXOEM-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.04
Rot. Bonds3

About [1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine

[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine (PubChem CID 28911796) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is [1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine
PubChem CID28911796
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine
SMILESCOc1cccc(-n2nnc(CN)c2C)c1
InChIInChI=1S/C11H14N4O/c1-8-11(7-12)13-14-15(8)9-4-3-5-10(6-9)16-2/h3-6H,7,12H2,1-2H3
InChIKeyHLUGKYYZBJXOEM-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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Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine?
The IUPAC name of [1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine (CID 28911796) is [1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine.
What is the SMILES notation for [1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine?
The canonical SMILES for [1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine is COc1cccc(-n2nnc(CN)c2C)c1.
What is the InChIKey of [1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine?
The InChIKey is HLUGKYYZBJXOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-11(7-12)13-14-15(8)9-4-3-5-10(6-9)16-2/h3-6H,7,12H2,1-2H3.
What are the key properties of [1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine?
[1-(3-methoxyphenyl)-5-methyltriazol-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 [1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine is sourced from PubChem (CID 28911796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).