3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbohydrazide

C7H13N5O2 — CID 79094683

IUPAC3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbohydrazide
SMILESNNC(=O)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C7H13N5O2/c8-10-7(14)11-1-2-12-5(4-11)3-9-6(12)13/h5H,1-4,8H2,(H,9,13)(H,10,14)
InChIKeyQHXPBGBCWYHLEU-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.72
Rot. Bonds

About 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbohydrazide

3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbohydrazide (PubChem CID 79094683) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbohydrazide.

Molecular Properties

Compound Name3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbohydrazide
PubChem CID79094683
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Name3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbohydrazide
SMILESNNC(=O)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C7H13N5O2/c8-10-7(14)11-1-2-12-5(4-11)3-9-6(12)13/h5H,1-4,8H2,(H,9,13)(H,10,14)
InChIKeyQHXPBGBCWYHLEU-UHFFFAOYSA-N
XLogP-1.72
TPSA90.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbohydrazide?
The IUPAC name of 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbohydrazide (CID 79094683) is 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbohydrazide.
What is the SMILES notation for 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbohydrazide?
The canonical SMILES for 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbohydrazide is NNC(=O)N1CCN2C(=O)NCC2C1.
What is the InChIKey of 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbohydrazide?
The InChIKey is QHXPBGBCWYHLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c8-10-7(14)11-1-2-12-5(4-11)3-9-6(12)13/h5H,1-4,8H2,(H,9,13)(H,10,14).
What are the key properties of 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbohydrazide?
3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbohydrazide has a molecular weight of 199.21 g/mol, XLogP of -1.72, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbohydrazide is sourced from PubChem (CID 79094683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).