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

C17H14N4O — CID 102174576

IUPAC7-methyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one
SMILESCN1C(=O)Cn2nnc(-c3ccccc3)c2-c2ccccc21
InChIInChI=1S/C17H14N4O/c1-20-14-10-6-5-9-13(14)17-16(12-7-3-2-4-8-12)18-19-21(17)11-15(20)22/h2-10H,11H2,1H3
InChIKeyNZCSIXINMRCKAU-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.59
Rot. Bonds1

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

7-methyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one (PubChem CID 102174576) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 7-methyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name7-methyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one
PubChem CID102174576
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name7-methyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one
SMILESCN1C(=O)Cn2nnc(-c3ccccc3)c2-c2ccccc21
InChIInChI=1S/C17H14N4O/c1-20-14-10-6-5-9-13(14)17-16(12-7-3-2-4-8-12)18-19-21(17)11-15(20)22/h2-10H,11H2,1H3
InChIKeyNZCSIXINMRCKAU-UHFFFAOYSA-N
XLogP2.59
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one?
The IUPAC name of 7-methyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one (CID 102174576) is 7-methyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one.
What is the SMILES notation for 7-methyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one?
The canonical SMILES for 7-methyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one is CN1C(=O)Cn2nnc(-c3ccccc3)c2-c2ccccc21.
What is the InChIKey of 7-methyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one?
The InChIKey is NZCSIXINMRCKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-20-14-10-6-5-9-13(14)17-16(12-7-3-2-4-8-12)18-19-21(17)11-15(20)22/h2-10H,11H2,1H3.
What are the key properties of 7-methyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one?
7-methyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one has a molecular weight of 290.33 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one is sourced from PubChem (CID 102174576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).