1-(2,3-dimethylphenyl)-3-(2-methylpropyl)-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole

C19H26N6 — CID 50979895

IUPAC1-(2,3-dimethylphenyl)-3-(2-methylpropyl)-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole
SMILESCc1cccc(-n2nc(CC(C)C)nc2CCc2nncn2C)c1C
InChIInChI=1S/C19H26N6/c1-13(2)11-17-21-18(9-10-19-22-20-12-24(19)5)25(23-17)16-8-6-7-14(3)15(16)4/h6-8,12-13H,9-11H2,1-5H3
InChIKeyUYNZJFBLORPGIC-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.00
Rot. Bonds6

About 1-(2,3-dimethylphenyl)-3-(2-methylpropyl)-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole

1-(2,3-dimethylphenyl)-3-(2-methylpropyl)-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole (PubChem CID 50979895) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-(2-methylpropyl)-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-(2-methylpropyl)-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole
PubChem CID50979895
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC Name1-(2,3-dimethylphenyl)-3-(2-methylpropyl)-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole
SMILESCc1cccc(-n2nc(CC(C)C)nc2CCc2nncn2C)c1C
InChIInChI=1S/C19H26N6/c1-13(2)11-17-21-18(9-10-19-22-20-12-24(19)5)25(23-17)16-8-6-7-14(3)15(16)4/h6-8,12-13H,9-11H2,1-5H3
InChIKeyUYNZJFBLORPGIC-UHFFFAOYSA-N
XLogP3.00
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-[5-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-methylpropyl)-1,2,4-triazol-1-yl]quinoline
CID 50953775
[1-(2,3-dimethylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine
CID 82478674
2-(2-chloroethyl)-7-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazole
CID 115553488
4-[2-(3-methylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]butanamide
CID 50969925
4-methyl-3-(5-methylhexyl)-1,2,4-triazole
CID 121323792
2-[3-(2-methylpropyl)-5-(2-pyrrol-1-ylethyl)-1,2,4-triazol-1-yl]pyridine
CID 50970621
4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-benzothiazol-2-amine
CID 79147368
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-naphthalen-1-ylethanamine
CID 63329032
3-(3-bromopropyl)-4-methyl-1,2,4-triazole
CID 130876613
2-[2-(3-chloro-2-methylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethanamine
CID 98022097
1-[2-[2-(3-methylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]pyrimidine-2,4-dione
CID 50969767
2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]aniline
CID 82469730

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-(2-methylpropyl)-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-(2-methylpropyl)-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole (CID 50979895) is 1-(2,3-dimethylphenyl)-3-(2-methylpropyl)-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-(2-methylpropyl)-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-(2-methylpropyl)-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole is Cc1cccc(-n2nc(CC(C)C)nc2CCc2nncn2C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-(2-methylpropyl)-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole?
The InChIKey is UYNZJFBLORPGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6/c1-13(2)11-17-21-18(9-10-19-22-20-12-24(19)5)25(23-17)16-8-6-7-14(3)15(16)4/h6-8,12-13H,9-11H2,1-5H3.
What are the key properties of 1-(2,3-dimethylphenyl)-3-(2-methylpropyl)-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole?
1-(2,3-dimethylphenyl)-3-(2-methylpropyl)-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole has a molecular weight of 338.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-(2-methylpropyl)-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole is sourced from PubChem (CID 50979895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).