7-[(5-hydrazinylthiadiazol-4-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C9H15N7OS — CID 79095395

IUPAC7-[(5-hydrazinylthiadiazol-4-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNNc1snnc1CN1CCN2C(=O)NCC2C1
InChIInChI=1S/C9H15N7OS/c10-12-8-7(13-14-18-8)5-15-1-2-16-6(4-15)3-11-9(16)17/h6,12H,1-5,10H2,(H,11,17)
InChIKeyQFHUNYIRUMDVOB-UHFFFAOYSA-N
MW269.33 g/mol
LogP-0.97
Rot. Bonds3

About 7-[(5-hydrazinylthiadiazol-4-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-[(5-hydrazinylthiadiazol-4-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79095395) has the molecular formula C9H15N7OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 7-[(5-hydrazinylthiadiazol-4-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[(5-hydrazinylthiadiazol-4-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79095395
Molecular FormulaC9H15N7OS
Molecular Weight269.33 g/mol
Exact Mass269.11
IUPAC Name7-[(5-hydrazinylthiadiazol-4-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNNc1snnc1CN1CCN2C(=O)NCC2C1
InChIInChI=1S/C9H15N7OS/c10-12-8-7(13-14-18-8)5-15-1-2-16-6(4-15)3-11-9(16)17/h6,12H,1-5,10H2,(H,11,17)
InChIKeyQFHUNYIRUMDVOB-UHFFFAOYSA-N
XLogP-0.97
TPSA99.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(5-hydrazinylthiadiazol-4-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[(5-hydrazinylthiadiazol-4-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79095395) is 7-[(5-hydrazinylthiadiazol-4-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[(5-hydrazinylthiadiazol-4-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[(5-hydrazinylthiadiazol-4-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is NNc1snnc1CN1CCN2C(=O)NCC2C1.
What is the InChIKey of 7-[(5-hydrazinylthiadiazol-4-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is QFHUNYIRUMDVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N7OS/c10-12-8-7(13-14-18-8)5-15-1-2-16-6(4-15)3-11-9(16)17/h6,12H,1-5,10H2,(H,11,17).
What are the key properties of 7-[(5-hydrazinylthiadiazol-4-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[(5-hydrazinylthiadiazol-4-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 269.33 g/mol, XLogP of -0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-hydrazinylthiadiazol-4-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79095395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).