5-methyl-2-(3-methylphenyl)benzotriazole

C14H13N3 — CID 57226885

IUPAC5-methyl-2-(3-methylphenyl)benzotriazole
SMILESCc1cccc(-n2nc3ccc(C)cc3n2)c1
InChIInChI=1S/C14H13N3/c1-10-4-3-5-12(8-10)17-15-13-7-6-11(2)9-14(13)16-17/h3-9H,1-2H3
InChIKeyFLIREBZBULFZTB-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.04
Rot. Bonds1

About 5-methyl-2-(3-methylphenyl)benzotriazole

5-methyl-2-(3-methylphenyl)benzotriazole (PubChem CID 57226885) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-methyl-2-(3-methylphenyl)benzotriazole.

Molecular Properties

Compound Name5-methyl-2-(3-methylphenyl)benzotriazole
PubChem CID57226885
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name5-methyl-2-(3-methylphenyl)benzotriazole
SMILESCc1cccc(-n2nc3ccc(C)cc3n2)c1
InChIInChI=1S/C14H13N3/c1-10-4-3-5-12(8-10)17-15-13-7-6-11(2)9-14(13)16-17/h3-9H,1-2H3
InChIKeyFLIREBZBULFZTB-UHFFFAOYSA-N
XLogP3.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-pyrrolidin-1-ylbenzotriazole
CID 102225688
5-ethyl-2-(3-methylphenyl)tetrazole
CID 143793801
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CID 54003664
2-methyl-6-(5-methylbenzotriazol-2-yl)-[1,3]thiazolo[5,4-b]quinoxaline
CID 15091437
2-[2-(3-methylphenyl)tetrazol-5-yl]acetic acid
CID 82285362
2-(3-fluorophenyl)benzotriazol-5-amine
CID 163367308
2-(5-methylbenzotriazol-2-yl)ethanol
CID 83968941
N-methyl-1-(5-methylbenzotriazol-2-yl)methanamine
CID 70067388
methane;5-methyl-2-(4-methylphenyl)benzo[e]benzotriazole;5-methyl-2-(4-methylphenyl)benzotriazole;5-methyl-2-(4-methylphenyl)naphtho[2,3-e]benzotriazole;2-(4-methylphenyl)phenanthro[9,10-d]triazole
CID 160638950
1-(3-methylphenyl)-4-(4-methylphenyl)triazole
CID 153378101
2,5-dimethoxy-4-(5-methylbenzotriazol-2-yl)phenol
CID 21390054
1-[1-(3-methylphenyl)triazol-4-yl]propan-1-amine
CID 106226775

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methylphenyl)benzotriazole?
The IUPAC name of 5-methyl-2-(3-methylphenyl)benzotriazole (CID 57226885) is 5-methyl-2-(3-methylphenyl)benzotriazole.
What is the SMILES notation for 5-methyl-2-(3-methylphenyl)benzotriazole?
The canonical SMILES for 5-methyl-2-(3-methylphenyl)benzotriazole is Cc1cccc(-n2nc3ccc(C)cc3n2)c1.
What is the InChIKey of 5-methyl-2-(3-methylphenyl)benzotriazole?
The InChIKey is FLIREBZBULFZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-10-4-3-5-12(8-10)17-15-13-7-6-11(2)9-14(13)16-17/h3-9H,1-2H3.
What are the key properties of 5-methyl-2-(3-methylphenyl)benzotriazole?
5-methyl-2-(3-methylphenyl)benzotriazole has a molecular weight of 223.28 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylphenyl)benzotriazole is sourced from PubChem (CID 57226885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).