5,6,7,8,9-pentamethyl-2H-triazolo[4,5-c][1]benzazepine-4,10-dione

C15H16N4O2 — CID 18721736

IUPAC5,6,7,8,9-pentamethyl-2H-triazolo[4,5-c][1]benzazepine-4,10-dione
SMILESCc1c(C)c(C)c2c(c1C)c(=O)c1n[nH]nc1c(=O)n2C
InChIInChI=1S/C15H16N4O2/c1-6-7(2)9(4)13-10(8(6)3)14(20)11-12(17-18-16-11)15(21)19(13)5/h1-5H3,(H,16,17,18)
InChIKeyFGXWQVZWQNDVOC-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.40
Rot. Bonds

About 5,6,7,8,9-pentamethyl-2H-triazolo[4,5-c][1]benzazepine-4,10-dione

5,6,7,8,9-pentamethyl-2H-triazolo[4,5-c][1]benzazepine-4,10-dione (PubChem CID 18721736) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5,6,7,8,9-pentamethyl-2H-triazolo[4,5-c][1]benzazepine-4,10-dione.

Molecular Properties

Compound Name5,6,7,8,9-pentamethyl-2H-triazolo[4,5-c][1]benzazepine-4,10-dione
PubChem CID18721736
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name5,6,7,8,9-pentamethyl-2H-triazolo[4,5-c][1]benzazepine-4,10-dione
SMILESCc1c(C)c(C)c2c(c1C)c(=O)c1n[nH]nc1c(=O)n2C
InChIInChI=1S/C15H16N4O2/c1-6-7(2)9(4)13-10(8(6)3)14(20)11-12(17-18-16-11)15(21)19(13)5/h1-5H3,(H,16,17,18)
InChIKeyFGXWQVZWQNDVOC-UHFFFAOYSA-N
XLogP1.40
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8,9-pentamethyl-2H-triazolo[4,5-c][1]benzazepine-4,10-dione?
The IUPAC name of 5,6,7,8,9-pentamethyl-2H-triazolo[4,5-c][1]benzazepine-4,10-dione (CID 18721736) is 5,6,7,8,9-pentamethyl-2H-triazolo[4,5-c][1]benzazepine-4,10-dione.
What is the SMILES notation for 5,6,7,8,9-pentamethyl-2H-triazolo[4,5-c][1]benzazepine-4,10-dione?
The canonical SMILES for 5,6,7,8,9-pentamethyl-2H-triazolo[4,5-c][1]benzazepine-4,10-dione is Cc1c(C)c(C)c2c(c1C)c(=O)c1n[nH]nc1c(=O)n2C.
What is the InChIKey of 5,6,7,8,9-pentamethyl-2H-triazolo[4,5-c][1]benzazepine-4,10-dione?
The InChIKey is FGXWQVZWQNDVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-6-7(2)9(4)13-10(8(6)3)14(20)11-12(17-18-16-11)15(21)19(13)5/h1-5H3,(H,16,17,18).
What are the key properties of 5,6,7,8,9-pentamethyl-2H-triazolo[4,5-c][1]benzazepine-4,10-dione?
5,6,7,8,9-pentamethyl-2H-triazolo[4,5-c][1]benzazepine-4,10-dione has a molecular weight of 284.32 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8,9-pentamethyl-2H-triazolo[4,5-c][1]benzazepine-4,10-dione is sourced from PubChem (CID 18721736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).