10-(2,4,6-trimethylphenyl)furo[3,2-c][1,2,5]benzotriazepine

C19H17N3O — CID 59572700

IUPAC10-(2,4,6-trimethylphenyl)furo[3,2-c][1,2,5]benzotriazepine
SMILESCc1cc(C)c(N2c3ccccc3N=Nc3ccoc32)c(C)c1
InChIInChI=1S/C19H17N3O/c1-12-10-13(2)18(14(3)11-12)22-17-7-5-4-6-15(17)20-21-16-8-9-23-19(16)22/h4-11H,1-3H3
InChIKeyOJZRZPYYXIYXIC-UHFFFAOYSA-N
MW303.37 g/mol
LogP6.40
Rot. Bonds1

About 10-(2,4,6-trimethylphenyl)furo[3,2-c][1,2,5]benzotriazepine

10-(2,4,6-trimethylphenyl)furo[3,2-c][1,2,5]benzotriazepine (PubChem CID 59572700) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 10-(2,4,6-trimethylphenyl)furo[3,2-c][1,2,5]benzotriazepine.

Molecular Properties

Compound Name10-(2,4,6-trimethylphenyl)furo[3,2-c][1,2,5]benzotriazepine
PubChem CID59572700
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name10-(2,4,6-trimethylphenyl)furo[3,2-c][1,2,5]benzotriazepine
SMILESCc1cc(C)c(N2c3ccccc3N=Nc3ccoc32)c(C)c1
InChIInChI=1S/C19H17N3O/c1-12-10-13(2)18(14(3)11-12)22-17-7-5-4-6-15(17)20-21-16-8-9-23-19(16)22/h4-11H,1-3H3
InChIKeyOJZRZPYYXIYXIC-UHFFFAOYSA-N
XLogP6.40
TPSA41.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.37
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(2,4,6-trimethylphenyl)furo[3,2-c][1,2,5]benzotriazepine?
The IUPAC name of 10-(2,4,6-trimethylphenyl)furo[3,2-c][1,2,5]benzotriazepine (CID 59572700) is 10-(2,4,6-trimethylphenyl)furo[3,2-c][1,2,5]benzotriazepine.
What is the SMILES notation for 10-(2,4,6-trimethylphenyl)furo[3,2-c][1,2,5]benzotriazepine?
The canonical SMILES for 10-(2,4,6-trimethylphenyl)furo[3,2-c][1,2,5]benzotriazepine is Cc1cc(C)c(N2c3ccccc3N=Nc3ccoc32)c(C)c1.
What is the InChIKey of 10-(2,4,6-trimethylphenyl)furo[3,2-c][1,2,5]benzotriazepine?
The InChIKey is OJZRZPYYXIYXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-12-10-13(2)18(14(3)11-12)22-17-7-5-4-6-15(17)20-21-16-8-9-23-19(16)22/h4-11H,1-3H3.
What are the key properties of 10-(2,4,6-trimethylphenyl)furo[3,2-c][1,2,5]benzotriazepine?
10-(2,4,6-trimethylphenyl)furo[3,2-c][1,2,5]benzotriazepine has a molecular weight of 303.37 g/mol, XLogP of 6.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,4,6-trimethylphenyl)furo[3,2-c][1,2,5]benzotriazepine is sourced from PubChem (CID 59572700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).