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

C17H22N6O — CID 70710332

IUPAC1-[2-[4-(4-methoxy-2,3-dimethylphenyl)triazol-1-yl]ethyl]-3,5-dimethyl-1,2,4-triazole
SMILESCOc1ccc(-c2cn(CCn3nc(C)nc3C)nn2)c(C)c1C
InChIInChI=1S/C17H22N6O/c1-11-12(2)17(24-5)7-6-15(11)16-10-22(21-19-16)8-9-23-14(4)18-13(3)20-23/h6-7,10H,8-9H2,1-5H3
InChIKeyXEZVLVCFMFTVMQ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.48
Rot. Bonds5

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

1-[2-[4-(4-methoxy-2,3-dimethylphenyl)triazol-1-yl]ethyl]-3,5-dimethyl-1,2,4-triazole (PubChem CID 70710332) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[2-[4-(4-methoxy-2,3-dimethylphenyl)triazol-1-yl]ethyl]-3,5-dimethyl-1,2,4-triazole.

Molecular Properties

Compound Name1-[2-[4-(4-methoxy-2,3-dimethylphenyl)triazol-1-yl]ethyl]-3,5-dimethyl-1,2,4-triazole
PubChem CID70710332
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name1-[2-[4-(4-methoxy-2,3-dimethylphenyl)triazol-1-yl]ethyl]-3,5-dimethyl-1,2,4-triazole
SMILESCOc1ccc(-c2cn(CCn3nc(C)nc3C)nn2)c(C)c1C
InChIInChI=1S/C17H22N6O/c1-11-12(2)17(24-5)7-6-15(11)16-10-22(21-19-16)8-9-23-14(4)18-13(3)20-23/h6-7,10H,8-9H2,1-5H3
InChIKeyXEZVLVCFMFTVMQ-UHFFFAOYSA-N
XLogP2.48
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-methoxy-2,3-dimethylphenyl)triazol-1-yl]ethyl]-3,5-dimethyl-1,2,4-triazole?
The IUPAC name of 1-[2-[4-(4-methoxy-2,3-dimethylphenyl)triazol-1-yl]ethyl]-3,5-dimethyl-1,2,4-triazole (CID 70710332) is 1-[2-[4-(4-methoxy-2,3-dimethylphenyl)triazol-1-yl]ethyl]-3,5-dimethyl-1,2,4-triazole.
What is the SMILES notation for 1-[2-[4-(4-methoxy-2,3-dimethylphenyl)triazol-1-yl]ethyl]-3,5-dimethyl-1,2,4-triazole?
The canonical SMILES for 1-[2-[4-(4-methoxy-2,3-dimethylphenyl)triazol-1-yl]ethyl]-3,5-dimethyl-1,2,4-triazole is COc1ccc(-c2cn(CCn3nc(C)nc3C)nn2)c(C)c1C.
What is the InChIKey of 1-[2-[4-(4-methoxy-2,3-dimethylphenyl)triazol-1-yl]ethyl]-3,5-dimethyl-1,2,4-triazole?
The InChIKey is XEZVLVCFMFTVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-11-12(2)17(24-5)7-6-15(11)16-10-22(21-19-16)8-9-23-14(4)18-13(3)20-23/h6-7,10H,8-9H2,1-5H3.
What are the key properties of 1-[2-[4-(4-methoxy-2,3-dimethylphenyl)triazol-1-yl]ethyl]-3,5-dimethyl-1,2,4-triazole?
1-[2-[4-(4-methoxy-2,3-dimethylphenyl)triazol-1-yl]ethyl]-3,5-dimethyl-1,2,4-triazole has a molecular weight of 326.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-methoxy-2,3-dimethylphenyl)triazol-1-yl]ethyl]-3,5-dimethyl-1,2,4-triazole is sourced from PubChem (CID 70710332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).