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

C9H16N6O — CID 83035538

IUPACN-(diaminomethylidene)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C9H16N6O/c10-8(11)13-9(12)14-3-4-15-6(5-14)1-2-7(15)16/h6H,1-5H2,(H5,10,11,12,13)
InChIKeyZYUAAVYQGCDWHN-UHFFFAOYSA-N
MW224.27 g/mol
LogP-1.50
Rot. Bonds

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

N-(diaminomethylidene)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide (PubChem CID 83035538) has the molecular formula C9H16N6O and a molecular weight of 224.27 g/mol. Its IUPAC name is N-(diaminomethylidene)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide
PubChem CID83035538
Molecular FormulaC9H16N6O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC NameN-(diaminomethylidene)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCN2C(=O)CCC2C1
InChIInChI=1S/C9H16N6O/c10-8(11)13-9(12)14-3-4-15-6(5-14)1-2-7(15)16/h6H,1-5H2,(H5,10,11,12,13)
InChIKeyZYUAAVYQGCDWHN-UHFFFAOYSA-N
XLogP-1.50
TPSA111.80 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(diaminomethylidene)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide?
The IUPAC name of N-(diaminomethylidene)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide (CID 83035538) is N-(diaminomethylidene)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide is [H]/N=C(\N=C(N)N)N1CCN2C(=O)CCC2C1.
What is the InChIKey of N-(diaminomethylidene)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide?
The InChIKey is ZYUAAVYQGCDWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O/c10-8(11)13-9(12)14-3-4-15-6(5-14)1-2-7(15)16/h6H,1-5H2,(H5,10,11,12,13).
What are the key properties of N-(diaminomethylidene)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide?
N-(diaminomethylidene)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide has a molecular weight of 224.27 g/mol, XLogP of -1.50, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboximidamide is sourced from PubChem (CID 83035538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).