4,5-dihydro-2H-benzo[e]benzotriazole

C10H9N3 — CID 132546523

IUPAC4,5-dihydro-2H-benzo[e]benzotriazole
SMILESc1ccc2c(c1)CCc1n[nH]nc1-2
InChIInChI=1S/C10H9N3/c1-2-4-8-7(3-1)5-6-9-10(8)12-13-11-9/h1-4H,5-6H2,(H,11,12,13)
InChIKeyROXJWNCRLLSFLA-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.57
Rot. Bonds

About 4,5-dihydro-2H-benzo[e]benzotriazole

4,5-dihydro-2H-benzo[e]benzotriazole (PubChem CID 132546523) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4,5-dihydro-2H-benzo[e]benzotriazole.

Molecular Properties

Compound Name4,5-dihydro-2H-benzo[e]benzotriazole
PubChem CID132546523
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name4,5-dihydro-2H-benzo[e]benzotriazole
SMILESc1ccc2c(c1)CCc1n[nH]nc1-2
InChIInChI=1S/C10H9N3/c1-2-4-8-7(3-1)5-6-9-10(8)12-13-11-9/h1-4H,5-6H2,(H,11,12,13)
InChIKeyROXJWNCRLLSFLA-UHFFFAOYSA-N
XLogP1.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-dimethyl-1H-benzotriazole
CID 77849
4,5-Diphenyl-1,2,3-triazole
CID 613500
1,2,3-Triazolo(4,5-d)(2)benzazepine, 2,4-dihydro-6-phenyl-
CID 3060450
1H-naphtho(2,3-d)triazole
CID 123045
5-methyl-4-phenyl-1H-1,2,3-triazole
CID 12207442
1H-Naphtho(1,2-d)triazole
CID 136048
4,5-Dihydrobenzo[e][1,2,3]benzoselenadiazole
CID 3011112
4,5-Diphenyl-1H-1,2,3-triazol-1-amine
CID 271096
2H-phenanthro[9,10-d]triazole
CID 3849420
4,5-dimethyl-1H-1,2,3-benzotriazole
CID 15685509
5-Benzyl-1H-benzotriazole
CID 10822301
1-Oxido-2-phenyl-4,5-dihydrobenzo[e]benzotriazol-1-ium
CID 8903154

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-2H-benzo[e]benzotriazole?
The IUPAC name of 4,5-dihydro-2H-benzo[e]benzotriazole (CID 132546523) is 4,5-dihydro-2H-benzo[e]benzotriazole.
What is the SMILES notation for 4,5-dihydro-2H-benzo[e]benzotriazole?
The canonical SMILES for 4,5-dihydro-2H-benzo[e]benzotriazole is c1ccc2c(c1)CCc1n[nH]nc1-2.
What is the InChIKey of 4,5-dihydro-2H-benzo[e]benzotriazole?
The InChIKey is ROXJWNCRLLSFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c1-2-4-8-7(3-1)5-6-9-10(8)12-13-11-9/h1-4H,5-6H2,(H,11,12,13).
What are the key properties of 4,5-dihydro-2H-benzo[e]benzotriazole?
4,5-dihydro-2H-benzo[e]benzotriazole has a molecular weight of 171.20 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-2H-benzo[e]benzotriazole is sourced from PubChem (CID 132546523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).