(3S)-3-amino-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-1,4-dione

C8H13N3O2 — CID 70537330

IUPAC(3S)-3-amino-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-1,4-dione
SMILESN[C@H]1CC(=O)N2CCCCN2C1=O
InChIInChI=1S/C8H13N3O2/c9-6-5-7(12)10-3-1-2-4-11(10)8(6)13/h6H,1-5,9H2/t6-/m0/s1
InChIKeyXIPUHYAERGPANL-LURJTMIESA-N
MW183.21 g/mol
LogP-0.92
Rot. Bonds

About (3S)-3-amino-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-1,4-dione

(3S)-3-amino-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-1,4-dione (PubChem CID 70537330) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is (3S)-3-amino-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-1,4-dione.

Molecular Properties

Compound Name(3S)-3-amino-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-1,4-dione
PubChem CID70537330
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name(3S)-3-amino-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-1,4-dione
SMILESN[C@H]1CC(=O)N2CCCCN2C1=O
InChIInChI=1S/C8H13N3O2/c9-6-5-7(12)10-3-1-2-4-11(10)8(6)13/h6H,1-5,9H2/t6-/m0/s1
InChIKeyXIPUHYAERGPANL-LURJTMIESA-N
XLogP-0.92
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(3S)-3-amino-1-methylazepan-2-one
CID 14003483
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CID 22417598
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(3S)-1-(dimethylamino)-3-piperidin-1-ylpyrrolidine-2,5-dione
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CID 124680679
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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-1,4-dione?
The IUPAC name of (3S)-3-amino-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-1,4-dione (CID 70537330) is (3S)-3-amino-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-1,4-dione.
What is the SMILES notation for (3S)-3-amino-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-1,4-dione?
The canonical SMILES for (3S)-3-amino-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-1,4-dione is N[C@H]1CC(=O)N2CCCCN2C1=O.
What is the InChIKey of (3S)-3-amino-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-1,4-dione?
The InChIKey is XIPUHYAERGPANL-LURJTMIESA-N. The full InChI is InChI=1S/C8H13N3O2/c9-6-5-7(12)10-3-1-2-4-11(10)8(6)13/h6H,1-5,9H2/t6-/m0/s1.
What are the key properties of (3S)-3-amino-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-1,4-dione?
(3S)-3-amino-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-1,4-dione has a molecular weight of 183.21 g/mol, XLogP of -0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-1,4-dione is sourced from PubChem (CID 70537330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).