5-bromo-1,4,7-trimethylbenzotriazole

C9H10BrN3 — CID 122660612

IUPAC5-bromo-1,4,7-trimethylbenzotriazole
SMILESCc1c(Br)cc(C)c2c1nnn2C
InChIInChI=1S/C9H10BrN3/c1-5-4-7(10)6(2)8-9(5)13(3)12-11-8/h4H,1-3H3
InChIKeyUTOVWNGSVDGIOL-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.35
Rot. Bonds

About 5-bromo-1,4,7-trimethylbenzotriazole

5-bromo-1,4,7-trimethylbenzotriazole (PubChem CID 122660612) has the molecular formula C9H10BrN3 and a molecular weight of 240.10 g/mol. Its IUPAC name is 5-bromo-1,4,7-trimethylbenzotriazole.

Molecular Properties

Compound Name5-bromo-1,4,7-trimethylbenzotriazole
PubChem CID122660612
Molecular FormulaC9H10BrN3
Molecular Weight240.10 g/mol
Exact Mass239.01
IUPAC Name5-bromo-1,4,7-trimethylbenzotriazole
SMILESCc1c(Br)cc(C)c2c1nnn2C
InChIInChI=1S/C9H10BrN3/c1-5-4-7(10)6(2)8-9(5)13(3)12-11-8/h4H,1-3H3
InChIKeyUTOVWNGSVDGIOL-UHFFFAOYSA-N
XLogP2.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4,6,7-tetramethyl-5-[2,3,5,6-tetramethyl-4-(1,4,6,7-tetramethylbenzotriazol-5-yl)phenyl]benzotriazole
CID 59246644
(7-bromo-3-methylbenzotriazol-5-yl)methanethiol
CID 169191485
1,4,6,7-tetramethyl-5-[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(1,4,6,7-tetramethylbenzotriazol-5-yl)phenyl]propan-2-yl]phenyl]benzotriazole
CID 59246650
5-bromo-1,4-dimethylbenzotriazole;1-bromo-4-fluoro-2-methyl-3-nitrobenzene;1-fluoro-3-methyl-2-nitrobenzene
CID 162100271
2-(5-amino-1-methylpyrazol-4-yl)-5-bromo-3,6-dimethylphenol
CID 117477193
1-bromo-2,3,5-trimethyl-4-nitrobenzene
CID 175398096
7-chloro-5-fluoro-1-methyl-4-nitrobenzotriazole
CID 54454224
3-[1,4-dimethyl-7-(trifluoromethoxy)benzotriazol-5-yl]propanoic acid
CID 175951909
4-bromo-5-(5-ethyltetrazol-1-yl)-2-methylaniline
CID 104815350
4-(5,7-dibromo-2,3-dihydroindol-1-yl)-1,6-dimethyltriazolo[4,5-c]pyridine
CID 20662565
(5-bromo-4-methylthiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanamine
CID 106464575
[(5-bromo-3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine
CID 106466681

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,4,7-trimethylbenzotriazole?
The IUPAC name of 5-bromo-1,4,7-trimethylbenzotriazole (CID 122660612) is 5-bromo-1,4,7-trimethylbenzotriazole.
What is the SMILES notation for 5-bromo-1,4,7-trimethylbenzotriazole?
The canonical SMILES for 5-bromo-1,4,7-trimethylbenzotriazole is Cc1c(Br)cc(C)c2c1nnn2C.
What is the InChIKey of 5-bromo-1,4,7-trimethylbenzotriazole?
The InChIKey is UTOVWNGSVDGIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3/c1-5-4-7(10)6(2)8-9(5)13(3)12-11-8/h4H,1-3H3.
What are the key properties of 5-bromo-1,4,7-trimethylbenzotriazole?
5-bromo-1,4,7-trimethylbenzotriazole has a molecular weight of 240.10 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,4,7-trimethylbenzotriazole is sourced from PubChem (CID 122660612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).