5,6-dimethyl-2H-benzo[e]benzotriazole

C12H11N3 — CID 141431998

IUPAC5,6-dimethyl-2H-benzo[e]benzotriazole
SMILESCc1cccc2c1c(C)cc1n[nH]nc12
InChIInChI=1S/C12H11N3/c1-7-4-3-5-9-11(7)8(2)6-10-12(9)14-15-13-10/h3-6H,1-2H3,(H,13,14,15)
InChIKeySVUZHCUSPMRNFP-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.73
Rot. Bonds

About 5,6-dimethyl-2H-benzo[e]benzotriazole

5,6-dimethyl-2H-benzo[e]benzotriazole (PubChem CID 141431998) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5,6-dimethyl-2H-benzo[e]benzotriazole.

Molecular Properties

Compound Name5,6-dimethyl-2H-benzo[e]benzotriazole
PubChem CID141431998
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name5,6-dimethyl-2H-benzo[e]benzotriazole
SMILESCc1cccc2c1c(C)cc1n[nH]nc12
InChIInChI=1S/C12H11N3/c1-7-4-3-5-9-11(7)8(2)6-10-12(9)14-15-13-10/h3-6H,1-2H3,(H,13,14,15)
InChIKeySVUZHCUSPMRNFP-UHFFFAOYSA-N
XLogP2.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2H-triazolo[4,5-h]quinoline
CID 58517629
5,6-dimethyl-4-propan-2-yl-2H-benzotriazole
CID 170676330
1,5,12-trimethyltriphenylene
CID 102264978
5,6-dimethyl-2H-benzotriazole;ethane;molecular hydrogen
CID 145283834
2H-benzotriazol-4-ylmercury
CID 70502598
4-methyl-2H-benzotriazole;morpholine
CID 159945175
6-methyl-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione
CID 18937674
3,7-dimethyl-2H-indazole;propane
CID 143828593
trimethyl-(4-methyl-2H-indazol-3-yl)silane
CID 76846112
2-(2H-benzotriazol-4-yloxy)-6-methylphenol
CID 175070691
1-methylbenzo[c]cinnoline
CID 135059712
N-isoquinolin-1-yl-4,6-dimethyl-2H-benzotriazole-5-sulfonamide
CID 58237693

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2H-benzo[e]benzotriazole?
The IUPAC name of 5,6-dimethyl-2H-benzo[e]benzotriazole (CID 141431998) is 5,6-dimethyl-2H-benzo[e]benzotriazole.
What is the SMILES notation for 5,6-dimethyl-2H-benzo[e]benzotriazole?
The canonical SMILES for 5,6-dimethyl-2H-benzo[e]benzotriazole is Cc1cccc2c1c(C)cc1n[nH]nc12.
What is the InChIKey of 5,6-dimethyl-2H-benzo[e]benzotriazole?
The InChIKey is SVUZHCUSPMRNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-7-4-3-5-9-11(7)8(2)6-10-12(9)14-15-13-10/h3-6H,1-2H3,(H,13,14,15).
What are the key properties of 5,6-dimethyl-2H-benzo[e]benzotriazole?
5,6-dimethyl-2H-benzo[e]benzotriazole has a molecular weight of 197.24 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2H-benzo[e]benzotriazole is sourced from PubChem (CID 141431998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).