6-methyl-5H-indazolo[2,3-a][1,4]benzodiazepin-7-one

C16H13N3O — CID 122219100

IUPAC6-methyl-5H-indazolo[2,3-a][1,4]benzodiazepin-7-one
SMILESCN1Cc2ccccc2-n2nc3ccccc3c2C1=O
InChIInChI=1S/C16H13N3O/c1-18-10-11-6-2-5-9-14(11)19-15(16(18)20)12-7-3-4-8-13(12)17-19/h2-9H,10H2,1H3
InChIKeyJEVBIWGYYRSBRG-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.61
Rot. Bonds

About 6-methyl-5H-indazolo[2,3-a][1,4]benzodiazepin-7-one

6-methyl-5H-indazolo[2,3-a][1,4]benzodiazepin-7-one (PubChem CID 122219100) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-methyl-5H-indazolo[2,3-a][1,4]benzodiazepin-7-one.

Molecular Properties

Compound Name6-methyl-5H-indazolo[2,3-a][1,4]benzodiazepin-7-one
PubChem CID122219100
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name6-methyl-5H-indazolo[2,3-a][1,4]benzodiazepin-7-one
SMILESCN1Cc2ccccc2-n2nc3ccccc3c2C1=O
InChIInChI=1S/C16H13N3O/c1-18-10-11-6-2-5-9-14(11)19-15(16(18)20)12-7-3-4-8-13(12)17-19/h2-9H,10H2,1H3
InChIKeyJEVBIWGYYRSBRG-UHFFFAOYSA-N
XLogP2.61
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5H-indazolo[2,3-a][1,4]benzodiazepin-7-one?
The IUPAC name of 6-methyl-5H-indazolo[2,3-a][1,4]benzodiazepin-7-one (CID 122219100) is 6-methyl-5H-indazolo[2,3-a][1,4]benzodiazepin-7-one.
What is the SMILES notation for 6-methyl-5H-indazolo[2,3-a][1,4]benzodiazepin-7-one?
The canonical SMILES for 6-methyl-5H-indazolo[2,3-a][1,4]benzodiazepin-7-one is CN1Cc2ccccc2-n2nc3ccccc3c2C1=O.
What is the InChIKey of 6-methyl-5H-indazolo[2,3-a][1,4]benzodiazepin-7-one?
The InChIKey is JEVBIWGYYRSBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-18-10-11-6-2-5-9-14(11)19-15(16(18)20)12-7-3-4-8-13(12)17-19/h2-9H,10H2,1H3.
What are the key properties of 6-methyl-5H-indazolo[2,3-a][1,4]benzodiazepin-7-one?
6-methyl-5H-indazolo[2,3-a][1,4]benzodiazepin-7-one has a molecular weight of 263.30 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5H-indazolo[2,3-a][1,4]benzodiazepin-7-one is sourced from PubChem (CID 122219100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).