7,10-dimethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one

C18H16N4O — CID 102174580

IUPAC7,10-dimethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one
SMILESCc1ccc2c(c1)-c1c(-c3ccccc3)nnn1CC(=O)N2C
InChIInChI=1S/C18H16N4O/c1-12-8-9-15-14(10-12)18-17(13-6-4-3-5-7-13)19-20-22(18)11-16(23)21(15)2/h3-10H,11H2,1-2H3
InChIKeyAVJYAWCMKNHRFE-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.90
Rot. Bonds1

About 7,10-dimethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one

7,10-dimethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one (PubChem CID 102174580) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 7,10-dimethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name7,10-dimethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one
PubChem CID102174580
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name7,10-dimethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one
SMILESCc1ccc2c(c1)-c1c(-c3ccccc3)nnn1CC(=O)N2C
InChIInChI=1S/C18H16N4O/c1-12-8-9-15-14(10-12)18-17(13-6-4-3-5-7-13)19-20-22(18)11-16(23)21(15)2/h3-10H,11H2,1-2H3
InChIKeyAVJYAWCMKNHRFE-UHFFFAOYSA-N
XLogP2.90
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,10-dimethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one?
The IUPAC name of 7,10-dimethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one (CID 102174580) is 7,10-dimethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one.
What is the SMILES notation for 7,10-dimethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one?
The canonical SMILES for 7,10-dimethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one is Cc1ccc2c(c1)-c1c(-c3ccccc3)nnn1CC(=O)N2C.
What is the InChIKey of 7,10-dimethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one?
The InChIKey is AVJYAWCMKNHRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-12-8-9-15-14(10-12)18-17(13-6-4-3-5-7-13)19-20-22(18)11-16(23)21(15)2/h3-10H,11H2,1-2H3.
What are the key properties of 7,10-dimethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one?
7,10-dimethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one has a molecular weight of 304.35 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dimethyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one is sourced from PubChem (CID 102174580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).