1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-amine

C18H20N4 — CID 134840383

IUPAC1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-amine
SMILESCc1ccc(-n2nc(N)nc2-c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C18H20N4/c1-11-5-7-15(8-6-11)22-17(20-18(19)21-22)16-13(3)9-12(2)10-14(16)4/h5-10H,1-4H3,(H2,19,21)
InChIKeyBASCVZYVPCYQOB-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.75
Rot. Bonds2

About 1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-amine

1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-amine (PubChem CID 134840383) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-amine
PubChem CID134840383
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-amine
SMILESCc1ccc(-n2nc(N)nc2-c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C18H20N4/c1-11-5-7-15(8-6-11)22-17(20-18(19)21-22)16-13(3)9-12(2)10-14(16)4/h5-10H,1-4H3,(H2,19,21)
InChIKeyBASCVZYVPCYQOB-UHFFFAOYSA-N
XLogP3.75
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-1,2,4-triazole-3,5-diamine
CID 21455595
1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)triazole
CID 139251579
5-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)pyrazole
CID 71416942
5-N,5-N-dimethyl-1-(4-methylphenyl)pyrazole-3,5-diamine
CID 83864590
2,4-bis(4-methylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine
CID 58250693
2-(2,6-dimethylphenyl)-1,3,5-trimethyl-4-[2,4,6-trimethyl-3-[2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)phenyl]phenyl]benzene
CID 57209426
3-(2,4-dimethylphenyl)-1-phenylpyrazol-5-amine
CID 43336745
N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745758
2-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 65348604
[5-methyl-2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine
CID 82469703
3-methyl-1,5-bis(4-methylphenyl)pyrazole
CID 59881727
3-iodo-5-methyl-1-(4-methylphenyl)pyrazole
CID 145470553

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-amine (CID 134840383) is 1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-amine is Cc1ccc(-n2nc(N)nc2-c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-amine?
The InChIKey is BASCVZYVPCYQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-11-5-7-15(8-6-11)22-17(20-18(19)21-22)16-13(3)9-12(2)10-14(16)4/h5-10H,1-4H3,(H2,19,21).
What are the key properties of 1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-amine?
1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-amine has a molecular weight of 292.39 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 134840383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).