5,6-dihydro-1H-pyrazolo[5,4-e][1,4]diazepin-4-one

C6H6N4O — CID 57435580

IUPAC5,6-dihydro-1H-pyrazolo[5,4-e][1,4]diazepin-4-one
SMILESO=C1NCC=Nc2[nH]ncc21
InChIInChI=1S/C6H6N4O/c11-6-4-3-9-10-5(4)7-1-2-8-6/h1,3H,2H2,(H,8,11)(H,9,10)
InChIKeyWVEVFRXXOGKMHJ-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.14
Rot. Bonds

About 5,6-dihydro-1H-pyrazolo[5,4-e][1,4]diazepin-4-one

5,6-dihydro-1H-pyrazolo[5,4-e][1,4]diazepin-4-one (PubChem CID 57435580) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 5,6-dihydro-1H-pyrazolo[5,4-e][1,4]diazepin-4-one.

Molecular Properties

Compound Name5,6-dihydro-1H-pyrazolo[5,4-e][1,4]diazepin-4-one
PubChem CID57435580
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name5,6-dihydro-1H-pyrazolo[5,4-e][1,4]diazepin-4-one
SMILESO=C1NCC=Nc2[nH]ncc21
InChIInChI=1S/C6H6N4O/c11-6-4-3-9-10-5(4)7-1-2-8-6/h1,3H,2H2,(H,8,11)(H,9,10)
InChIKeyWVEVFRXXOGKMHJ-UHFFFAOYSA-N
XLogP-0.14
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-1H-pyrazolo[5,4-e][1,4]diazepin-4-one?
The IUPAC name of 5,6-dihydro-1H-pyrazolo[5,4-e][1,4]diazepin-4-one (CID 57435580) is 5,6-dihydro-1H-pyrazolo[5,4-e][1,4]diazepin-4-one.
What is the SMILES notation for 5,6-dihydro-1H-pyrazolo[5,4-e][1,4]diazepin-4-one?
The canonical SMILES for 5,6-dihydro-1H-pyrazolo[5,4-e][1,4]diazepin-4-one is O=C1NCC=Nc2[nH]ncc21.
What is the InChIKey of 5,6-dihydro-1H-pyrazolo[5,4-e][1,4]diazepin-4-one?
The InChIKey is WVEVFRXXOGKMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c11-6-4-3-9-10-5(4)7-1-2-8-6/h1,3H,2H2,(H,8,11)(H,9,10).
What are the key properties of 5,6-dihydro-1H-pyrazolo[5,4-e][1,4]diazepin-4-one?
5,6-dihydro-1H-pyrazolo[5,4-e][1,4]diazepin-4-one has a molecular weight of 150.14 g/mol, XLogP of -0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-1H-pyrazolo[5,4-e][1,4]diazepin-4-one is sourced from PubChem (CID 57435580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).