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

C9H16N4O — CID 82862570

IUPACN'-methyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide
SMILESC/N=C(\N)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C9H16N4O/c1-11-9(10)12-4-5-13-7(6-12)2-3-8(13)14/h7H,2-6H2,1H3,(H2,10,11)
InChIKeyOCJBMOCXTYIKMH-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.76
Rot. Bonds

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

N'-methyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide (PubChem CID 82862570) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N'-methyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-methyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide
PubChem CID82862570
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN'-methyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide
SMILESC/N=C(\N)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C9H16N4O/c1-11-9(10)12-4-5-13-7(6-12)2-3-8(13)14/h7H,2-6H2,1H3,(H2,10,11)
InChIKeyOCJBMOCXTYIKMH-UHFFFAOYSA-N
XLogP-0.76
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.76
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'-methyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide?
The IUPAC name of N'-methyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide (CID 82862570) is N'-methyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide.
What is the SMILES notation for N'-methyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide?
The canonical SMILES for N'-methyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide is C/N=C(\N)N1CCN2C(=O)CCC2C1.
What is the InChIKey of N'-methyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide?
The InChIKey is OCJBMOCXTYIKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-11-9(10)12-4-5-13-7(6-12)2-3-8(13)14/h7H,2-6H2,1H3,(H2,10,11).
What are the key properties of N'-methyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide?
N'-methyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide has a molecular weight of 196.25 g/mol, XLogP of -0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide is sourced from PubChem (CID 82862570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).