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

C19H18N4O — CID 102174581

IUPAC7-ethyl-10-methyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one
SMILESCCN1C(=O)Cn2nnc(-c3ccccc3)c2-c2cc(C)ccc21
InChIInChI=1S/C19H18N4O/c1-3-22-16-10-9-13(2)11-15(16)19-18(14-7-5-4-6-8-14)20-21-23(19)12-17(22)24/h4-11H,3,12H2,1-2H3
InChIKeyZPYXSFJJNYDKDR-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.29
Rot. Bonds2

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

7-ethyl-10-methyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one (PubChem CID 102174581) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 7-ethyl-10-methyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name7-ethyl-10-methyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one
PubChem CID102174581
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name7-ethyl-10-methyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one
SMILESCCN1C(=O)Cn2nnc(-c3ccccc3)c2-c2cc(C)ccc21
InChIInChI=1S/C19H18N4O/c1-3-22-16-10-9-13(2)11-15(16)19-18(14-7-5-4-6-8-14)20-21-23(19)12-17(22)24/h4-11H,3,12H2,1-2H3
InChIKeyZPYXSFJJNYDKDR-UHFFFAOYSA-N
XLogP3.29
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-10-methyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one?
The IUPAC name of 7-ethyl-10-methyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one (CID 102174581) is 7-ethyl-10-methyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one.
What is the SMILES notation for 7-ethyl-10-methyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one?
The canonical SMILES for 7-ethyl-10-methyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one is CCN1C(=O)Cn2nnc(-c3ccccc3)c2-c2cc(C)ccc21.
What is the InChIKey of 7-ethyl-10-methyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one?
The InChIKey is ZPYXSFJJNYDKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-3-22-16-10-9-13(2)11-15(16)19-18(14-7-5-4-6-8-14)20-21-23(19)12-17(22)24/h4-11H,3,12H2,1-2H3.
What are the key properties of 7-ethyl-10-methyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one?
7-ethyl-10-methyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one has a molecular weight of 318.38 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-10-methyl-1-phenyl-5H-triazolo[1,5-d][1,4]benzodiazepin-6-one is sourced from PubChem (CID 102174581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).