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

C11H14N4O — CID 82207885

IUPAC[5-(3-methoxyphenyl)-1-methyltriazol-4-yl]methanamine
SMILESCOc1cccc(-c2c(CN)nnn2C)c1
InChIInChI=1S/C11H14N4O/c1-15-11(10(7-12)13-14-15)8-4-3-5-9(6-8)16-2/h3-6H,7,12H2,1-2H3
InChIKeyOOBPCKVKFOOMBW-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.95
Rot. Bonds3

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

[5-(3-methoxyphenyl)-1-methyltriazol-4-yl]methanamine (PubChem CID 82207885) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is [5-(3-methoxyphenyl)-1-methyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(3-methoxyphenyl)-1-methyltriazol-4-yl]methanamine
PubChem CID82207885
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name[5-(3-methoxyphenyl)-1-methyltriazol-4-yl]methanamine
SMILESCOc1cccc(-c2c(CN)nnn2C)c1
InChIInChI=1S/C11H14N4O/c1-15-11(10(7-12)13-14-15)8-4-3-5-9(6-8)16-2/h3-6H,7,12H2,1-2H3
InChIKeyOOBPCKVKFOOMBW-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(3-methoxyphenyl)-1-propyltriazol-4-yl]methanamine
CID 82205137
[5-(3-fluorophenyl)-1-methyltriazol-4-yl]methanamine
CID 82207879
[5-(3-bromophenyl)-1-methyltriazol-4-yl]methanamine
CID 82207882
ethyl 5-(3-methoxyphenyl)-1-methyltriazole-4-carboxylate
CID 103105602
[5-(3-chlorophenyl)-1-(3-methoxyphenyl)triazol-4-yl]methanamine
CID 94937736
[1-[(3-fluorophenyl)methyl]-5-(3-methoxyphenyl)triazol-4-yl]methanamine
CID 94946400
5-(3-methoxyphenyl)-1-methyltriazole-4-carboxylic acid
CID 82207563
[5-(3-methoxyphenyl)-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 82221151
[5-(3,4-difluorophenyl)-1-methyltriazol-4-yl]methanamine
CID 82207937
[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine
CID 28911796
[5-(3-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82472128
[5-(3-methoxyphenyl)-1-(2-methylpropyl)triazol-4-yl]methanol
CID 82208617

Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxyphenyl)-1-methyltriazol-4-yl]methanamine?
The IUPAC name of [5-(3-methoxyphenyl)-1-methyltriazol-4-yl]methanamine (CID 82207885) is [5-(3-methoxyphenyl)-1-methyltriazol-4-yl]methanamine.
What is the SMILES notation for [5-(3-methoxyphenyl)-1-methyltriazol-4-yl]methanamine?
The canonical SMILES for [5-(3-methoxyphenyl)-1-methyltriazol-4-yl]methanamine is COc1cccc(-c2c(CN)nnn2C)c1.
What is the InChIKey of [5-(3-methoxyphenyl)-1-methyltriazol-4-yl]methanamine?
The InChIKey is OOBPCKVKFOOMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-15-11(10(7-12)13-14-15)8-4-3-5-9(6-8)16-2/h3-6H,7,12H2,1-2H3.
What are the key properties of [5-(3-methoxyphenyl)-1-methyltriazol-4-yl]methanamine?
[5-(3-methoxyphenyl)-1-methyltriazol-4-yl]methanamine has a molecular weight of 218.26 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxyphenyl)-1-methyltriazol-4-yl]methanamine is sourced from PubChem (CID 82207885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).