N'-(2-methylpropyl)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide

C12H22N4O — CID 82862660

IUPACN'-(2-methylpropyl)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide
SMILESCC(C)C/N=C(\N)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C12H22N4O/c1-9(2)7-14-12(13)15-5-6-16-10(8-15)3-4-11(16)17/h9-10H,3-8H2,1-2H3,(H2,13,14)
InChIKeyBSSFBYWQPVADEH-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.26
Rot. Bonds2

About N'-(2-methylpropyl)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide

N'-(2-methylpropyl)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide (PubChem CID 82862660) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N'-(2-methylpropyl)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-(2-methylpropyl)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide
PubChem CID82862660
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN'-(2-methylpropyl)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide
SMILESCC(C)C/N=C(\N)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C12H22N4O/c1-9(2)7-14-12(13)15-5-6-16-10(8-15)3-4-11(16)17/h9-10H,3-8H2,1-2H3,(H2,13,14)
InChIKeyBSSFBYWQPVADEH-UHFFFAOYSA-N
XLogP0.26
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropyl)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide?
The IUPAC name of N'-(2-methylpropyl)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide (CID 82862660) is N'-(2-methylpropyl)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide.
What is the SMILES notation for N'-(2-methylpropyl)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide?
The canonical SMILES for N'-(2-methylpropyl)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide is CC(C)C/N=C(\N)N1CCN2C(=O)CCC2C1.
What is the InChIKey of N'-(2-methylpropyl)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide?
The InChIKey is BSSFBYWQPVADEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9(2)7-14-12(13)15-5-6-16-10(8-15)3-4-11(16)17/h9-10H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of N'-(2-methylpropyl)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide?
N'-(2-methylpropyl)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide has a molecular weight of 238.33 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide is sourced from PubChem (CID 82862660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).