3-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine

C12H12N6O — CID 82207947

IUPAC3-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
SMILESCc1ccc(-c2noc(-c3nnn(C)c3N)n2)cc1
InChIInChI=1S/C12H12N6O/c1-7-3-5-8(6-4-7)11-14-12(19-16-11)9-10(13)18(2)17-15-9/h3-6H,13H2,1-2H3
InChIKeyYXVQUZMQDWCOIV-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.42
Rot. Bonds2

About 3-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine

3-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine (PubChem CID 82207947) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 3-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine.

Molecular Properties

Compound Name3-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
PubChem CID82207947
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name3-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
SMILESCc1ccc(-c2noc(-c3nnn(C)c3N)n2)cc1
InChIInChI=1S/C12H12N6O/c1-7-3-5-8(6-4-7)11-14-12(19-16-11)9-10(13)18(2)17-15-9/h3-6H,13H2,1-2H3
InChIKeyYXVQUZMQDWCOIV-UHFFFAOYSA-N
XLogP1.42
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine
CID 20904427
3-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]propan-1-ol
CID 82211677
3-(4-methylphenyl)-5-(5-methyl-1-phenyltriazol-4-yl)-1,2,4-oxadiazole
CID 17015661
3-(3-methylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
CID 20904392
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-methylpropyl)triazol-4-amine
CID 94944820
4-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525200
3-(3-chloro-2-methylphenyl)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 18591826
3-(4-bromophenyl)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 16833201
3-(2-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine
CID 20904364
5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 20937970
3-benzyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine
CID 94943137
3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 752268

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine?
The IUPAC name of 3-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine (CID 82207947) is 3-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine.
What is the SMILES notation for 3-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine?
The canonical SMILES for 3-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine is Cc1ccc(-c2noc(-c3nnn(C)c3N)n2)cc1.
What is the InChIKey of 3-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine?
The InChIKey is YXVQUZMQDWCOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-7-3-5-8(6-4-7)11-14-12(19-16-11)9-10(13)18(2)17-15-9/h3-6H,13H2,1-2H3.
What are the key properties of 3-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine?
3-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine has a molecular weight of 256.27 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine is sourced from PubChem (CID 82207947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).