(10S)-10-acetyl-2-hydroxy-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-1,5-dione

C10H15N3O4 — CID 59960958

IUPAC(10S)-10-acetyl-2-hydroxy-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-1,5-dione
SMILESCC(=O)[C@@H]1CCCN2C(=O)CCN(O)C(=O)N12
InChIInChI=1S/C10H15N3O4/c1-7(14)8-3-2-5-11-9(15)4-6-12(17)10(16)13(8)11/h8,17H,2-6H2,1H3/t8-/m0/s1
InChIKeyKQWHXUJZYLIPMM-QMMMGPOBSA-N
MW241.25 g/mol
LogP-0.00
Rot. Bonds1

About (10S)-10-acetyl-2-hydroxy-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-1,5-dione

(10S)-10-acetyl-2-hydroxy-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-1,5-dione (PubChem CID 59960958) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is (10S)-10-acetyl-2-hydroxy-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-1,5-dione.

Molecular Properties

Compound Name(10S)-10-acetyl-2-hydroxy-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-1,5-dione
PubChem CID59960958
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name(10S)-10-acetyl-2-hydroxy-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-1,5-dione
SMILESCC(=O)[C@@H]1CCCN2C(=O)CCN(O)C(=O)N12
InChIInChI=1S/C10H15N3O4/c1-7(14)8-3-2-5-11-9(15)4-6-12(17)10(16)13(8)11/h8,17H,2-6H2,1H3/t8-/m0/s1
InChIKeyKQWHXUJZYLIPMM-QMMMGPOBSA-N
XLogP-0.00
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (10S)-10-acetyl-2-hydroxy-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-1,5-dione?
The IUPAC name of (10S)-10-acetyl-2-hydroxy-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-1,5-dione (CID 59960958) is (10S)-10-acetyl-2-hydroxy-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-1,5-dione.
What is the SMILES notation for (10S)-10-acetyl-2-hydroxy-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-1,5-dione?
The canonical SMILES for (10S)-10-acetyl-2-hydroxy-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-1,5-dione is CC(=O)[C@@H]1CCCN2C(=O)CCN(O)C(=O)N12.
What is the InChIKey of (10S)-10-acetyl-2-hydroxy-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-1,5-dione?
The InChIKey is KQWHXUJZYLIPMM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-7(14)8-3-2-5-11-9(15)4-6-12(17)10(16)13(8)11/h8,17H,2-6H2,1H3/t8-/m0/s1.
What are the key properties of (10S)-10-acetyl-2-hydroxy-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-1,5-dione?
(10S)-10-acetyl-2-hydroxy-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-1,5-dione has a molecular weight of 241.25 g/mol, XLogP of -0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-10-acetyl-2-hydroxy-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-1,5-dione is sourced from PubChem (CID 59960958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).