1-(2,6-Diisopropylphenyl)-3-methyl-1H-1,2,4-triazole - CAS 1445975-61-0
Catalog: |
BB009802 |
Product Name: |
1-(2,6-Diisopropylphenyl)-3-methyl-1H-1,2,4-triazole |
CAS: |
1445975-61-0 |
Synonyms: |
1-[2,6-di(propan-2-yl)phenyl]-3-methyl-1,2,4-triazole; 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-1,2,4-triazole |
IUPAC Name: | 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-1,2,4-triazole |
Description: | 1-(2,6-Diisopropylphenyl)-3-methyl-1H-1,2,4-triazole (CAS# 1445975-61-0 ) is a useful research chemical. |
Molecular Weight: | 243.35 |
Molecular Formula: | C15H21N3 |
Canonical SMILES: | CC1=NN(C=N1)C2=C(C=CC=C2C(C)C)C(C)C |
InChI: | InChI=1S/C15H21N3/c1-10(2)13-7-6-8-14(11(3)4)15(13)18-9-16-12(5)17-18/h6-11H,1-5H3 |
InChI Key: | MBPAIXIRKCMYEO-UHFFFAOYSA-N |
LogP: | 3.82250 |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.173547683 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.173547683 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 30.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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