imidazole-1-carboximidamide

C4H6N4 — CID 19034099

IUPACimidazole-1-carboximidamide
SMILES[H]/N=C(\N)n1ccnc1
InChIInChI=1S/C4H6N4/c5-4(6)8-2-1-7-3-8/h1-3H,(H3,5,6)
InChIKeyAPFJFXLZCTYQFS-UHFFFAOYSA-N
MW110.12 g/mol
LogP-0.38
Rot. Bonds

About imidazole-1-carboximidamide

imidazole-1-carboximidamide (PubChem CID 19034099) has the molecular formula C4H6N4 and a molecular weight of 110.12 g/mol. Its IUPAC name is imidazole-1-carboximidamide.

Molecular Properties

Compound Nameimidazole-1-carboximidamide
PubChem CID19034099
Molecular FormulaC4H6N4
Molecular Weight110.12 g/mol
Exact Mass110.06
IUPAC Nameimidazole-1-carboximidamide
SMILES[H]/N=C(\N)n1ccnc1
InChIInChI=1S/C4H6N4/c5-4(6)8-2-1-7-3-8/h1-3H,(H3,5,6)
InChIKeyAPFJFXLZCTYQFS-UHFFFAOYSA-N
XLogP-0.38
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 imidazole-1-carboximidamide?
The IUPAC name of imidazole-1-carboximidamide (CID 19034099) is imidazole-1-carboximidamide.
What is the SMILES notation for imidazole-1-carboximidamide?
The canonical SMILES for imidazole-1-carboximidamide is [H]/N=C(\N)n1ccnc1.
What is the InChIKey of imidazole-1-carboximidamide?
The InChIKey is APFJFXLZCTYQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4/c5-4(6)8-2-1-7-3-8/h1-3H,(H3,5,6).
What are the key properties of imidazole-1-carboximidamide?
imidazole-1-carboximidamide has a molecular weight of 110.12 g/mol, XLogP of -0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imidazole-1-carboximidamide is sourced from PubChem (CID 19034099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).