N,N'-diamino-N-(5-ethenylpyrazin-2-yl)methanimidamide

C7H10N6 — CID 135190039

IUPACN,N'-diamino-N-(5-ethenylpyrazin-2-yl)methanimidamide
SMILESC=Cc1cnc(N(N)/C=N\N)cn1
InChIInChI=1S/C7H10N6/c1-2-6-3-11-7(4-10-6)13(9)5-12-8/h2-5H,1,8-9H2/b12-5-
InChIKeyITYYZNBKXFPEMO-XGICHPGQSA-N
MW178.20 g/mol
LogP-0.30
Rot. Bonds3

About N,N'-diamino-N-(5-ethenylpyrazin-2-yl)methanimidamide

N,N'-diamino-N-(5-ethenylpyrazin-2-yl)methanimidamide (PubChem CID 135190039) has the molecular formula C7H10N6 and a molecular weight of 178.20 g/mol. Its IUPAC name is N,N'-diamino-N-(5-ethenylpyrazin-2-yl)methanimidamide.

Molecular Properties

Compound NameN,N'-diamino-N-(5-ethenylpyrazin-2-yl)methanimidamide
PubChem CID135190039
Molecular FormulaC7H10N6
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC NameN,N'-diamino-N-(5-ethenylpyrazin-2-yl)methanimidamide
SMILESC=Cc1cnc(N(N)/C=N\N)cn1
InChIInChI=1S/C7H10N6/c1-2-6-3-11-7(4-10-6)13(9)5-12-8/h2-5H,1,8-9H2/b12-5-
InChIKeyITYYZNBKXFPEMO-XGICHPGQSA-N
XLogP-0.30
TPSA93.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N,N'-diamino-N-(5-ethenylpyrazin-2-yl)methanimidamide?
The IUPAC name of N,N'-diamino-N-(5-ethenylpyrazin-2-yl)methanimidamide (CID 135190039) is N,N'-diamino-N-(5-ethenylpyrazin-2-yl)methanimidamide.
What is the SMILES notation for N,N'-diamino-N-(5-ethenylpyrazin-2-yl)methanimidamide?
The canonical SMILES for N,N'-diamino-N-(5-ethenylpyrazin-2-yl)methanimidamide is C=Cc1cnc(N(N)/C=N\N)cn1.
What is the InChIKey of N,N'-diamino-N-(5-ethenylpyrazin-2-yl)methanimidamide?
The InChIKey is ITYYZNBKXFPEMO-XGICHPGQSA-N. The full InChI is InChI=1S/C7H10N6/c1-2-6-3-11-7(4-10-6)13(9)5-12-8/h2-5H,1,8-9H2/b12-5-.
What are the key properties of N,N'-diamino-N-(5-ethenylpyrazin-2-yl)methanimidamide?
N,N'-diamino-N-(5-ethenylpyrazin-2-yl)methanimidamide has a molecular weight of 178.20 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diamino-N-(5-ethenylpyrazin-2-yl)methanimidamide is sourced from PubChem (CID 135190039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).