2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-6,10-dione

C9H14N2O2 — CID 58356997

IUPAC2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-6,10-dione
SMILESO=C1CCCC(=O)N2CCCCN12
InChIInChI=1S/C9H14N2O2/c12-8-4-3-5-9(13)11-7-2-1-6-10(8)11/h1-7H2
InChIKeyHYJFZZIKODRHLB-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.54
Rot. Bonds

About 2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-6,10-dione

2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-6,10-dione (PubChem CID 58356997) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-6,10-dione.

Molecular Properties

Compound Name2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-6,10-dione
PubChem CID58356997
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-6,10-dione
SMILESO=C1CCCC(=O)N2CCCCN12
InChIInChI=1S/C9H14N2O2/c12-8-4-3-5-9(13)11-7-2-1-6-10(8)11/h1-7H2
InChIKeyHYJFZZIKODRHLB-UHFFFAOYSA-N
XLogP0.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-6,10-dione?
The IUPAC name of 2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-6,10-dione (CID 58356997) is 2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-6,10-dione.
What is the SMILES notation for 2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-6,10-dione?
The canonical SMILES for 2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-6,10-dione is O=C1CCCC(=O)N2CCCCN12.
What is the InChIKey of 2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-6,10-dione?
The InChIKey is HYJFZZIKODRHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-8-4-3-5-9(13)11-7-2-1-6-10(8)11/h1-7H2.
What are the key properties of 2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-6,10-dione?
2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-6,10-dione has a molecular weight of 182.22 g/mol, XLogP of 0.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-6,10-dione is sourced from PubChem (CID 58356997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).