6,8-dimethyl-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione

C12H10N4O2 — CID 18697778

IUPAC6,8-dimethyl-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione
SMILESCc1cc(C)c2[nH]c(=O)c3n[nH]nc3c(=O)c2c1
InChIInChI=1S/C12H10N4O2/c1-5-3-6(2)8-7(4-5)11(17)9-10(12(18)13-8)15-16-14-9/h3-4H,1-2H3,(H,13,18)(H,14,15,16)
InChIKeyRWUZPQOQCCVTPU-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.78
Rot. Bonds

About 6,8-dimethyl-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione

6,8-dimethyl-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione (PubChem CID 18697778) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 6,8-dimethyl-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione.

Molecular Properties

Compound Name6,8-dimethyl-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione
PubChem CID18697778
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name6,8-dimethyl-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione
SMILESCc1cc(C)c2[nH]c(=O)c3n[nH]nc3c(=O)c2c1
InChIInChI=1S/C12H10N4O2/c1-5-3-6(2)8-7(4-5)11(17)9-10(12(18)13-8)15-16-14-9/h3-4H,1-2H3,(H,13,18)(H,14,15,16)
InChIKeyRWUZPQOQCCVTPU-UHFFFAOYSA-N
XLogP0.78
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione?
The IUPAC name of 6,8-dimethyl-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione (CID 18697778) is 6,8-dimethyl-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione.
What is the SMILES notation for 6,8-dimethyl-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione?
The canonical SMILES for 6,8-dimethyl-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione is Cc1cc(C)c2[nH]c(=O)c3n[nH]nc3c(=O)c2c1.
What is the InChIKey of 6,8-dimethyl-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione?
The InChIKey is RWUZPQOQCCVTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-5-3-6(2)8-7(4-5)11(17)9-10(12(18)13-8)15-16-14-9/h3-4H,1-2H3,(H,13,18)(H,14,15,16).
What are the key properties of 6,8-dimethyl-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione?
6,8-dimethyl-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione has a molecular weight of 242.24 g/mol, XLogP of 0.78, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-2,5-dihydrotriazolo[4,5-c][1]benzazepine-4,10-dione is sourced from PubChem (CID 18697778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).