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

C16H28N2O2 — CID 71142012

IUPAC4-tert-butyl-7-propan-2-yl-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-6,10-dione
SMILESCC(C)C1CCC(=O)N2CCCC(C(C)(C)C)N2C1=O
InChIInChI=1S/C16H28N2O2/c1-11(2)12-8-9-14(19)17-10-6-7-13(16(3,4)5)18(17)15(12)20/h11-13H,6-10H2,1-5H3
InChIKeyFZZDCDUTAZIDLN-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.83
Rot. Bonds1

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

4-tert-butyl-7-propan-2-yl-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-6,10-dione (PubChem CID 71142012) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 4-tert-butyl-7-propan-2-yl-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-6,10-dione.

Molecular Properties

Compound Name4-tert-butyl-7-propan-2-yl-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-6,10-dione
PubChem CID71142012
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name4-tert-butyl-7-propan-2-yl-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-6,10-dione
SMILESCC(C)C1CCC(=O)N2CCCC(C(C)(C)C)N2C1=O
InChIInChI=1S/C16H28N2O2/c1-11(2)12-8-9-14(19)17-10-6-7-13(16(3,4)5)18(17)15(12)20/h11-13H,6-10H2,1-5H3
InChIKeyFZZDCDUTAZIDLN-UHFFFAOYSA-N
XLogP2.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-7-propan-2-yl-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-6,10-dione?
The IUPAC name of 4-tert-butyl-7-propan-2-yl-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-6,10-dione (CID 71142012) is 4-tert-butyl-7-propan-2-yl-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-6,10-dione.
What is the SMILES notation for 4-tert-butyl-7-propan-2-yl-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-6,10-dione?
The canonical SMILES for 4-tert-butyl-7-propan-2-yl-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-6,10-dione is CC(C)C1CCC(=O)N2CCCC(C(C)(C)C)N2C1=O.
What is the InChIKey of 4-tert-butyl-7-propan-2-yl-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-6,10-dione?
The InChIKey is FZZDCDUTAZIDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-11(2)12-8-9-14(19)17-10-6-7-13(16(3,4)5)18(17)15(12)20/h11-13H,6-10H2,1-5H3.
What are the key properties of 4-tert-butyl-7-propan-2-yl-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-6,10-dione?
4-tert-butyl-7-propan-2-yl-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-6,10-dione has a molecular weight of 280.41 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-7-propan-2-yl-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-6,10-dione is sourced from PubChem (CID 71142012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).