1-(iminomethylidene)guanidine

C2H4N4 — CID 5256135

IUPAC1-(iminomethylidene)guanidine
SMILES[H]/N=C(/N)N=C=N
InChIInChI=1S/C2H4N4/c3-1-6-2(4)5/h3H,(H3,4,5)
InChIKeyOYAIEFRTTVBGCT-UHFFFAOYSA-N
MW84.08 g/mol
LogP-0.37
Rot. Bonds

About 1-(iminomethylidene)guanidine

1-(iminomethylidene)guanidine (PubChem CID 5256135) has the molecular formula C2H4N4 and a molecular weight of 84.08 g/mol. Its IUPAC name is 1-(iminomethylidene)guanidine.

Molecular Properties

Compound Name1-(iminomethylidene)guanidine
PubChem CID5256135
Molecular FormulaC2H4N4
Molecular Weight84.08 g/mol
Exact Mass84.04
IUPAC Name1-(iminomethylidene)guanidine
SMILES[H]/N=C(/N)N=C=N
InChIInChI=1S/C2H4N4/c3-1-6-2(4)5/h3H,(H3,4,5)
InChIKeyOYAIEFRTTVBGCT-UHFFFAOYSA-N
XLogP-0.37
TPSA86.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.08
LogP ≤ 5-0.37
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(iminomethylidene)guanidine?
The IUPAC name of 1-(iminomethylidene)guanidine (CID 5256135) is 1-(iminomethylidene)guanidine.
What is the SMILES notation for 1-(iminomethylidene)guanidine?
The canonical SMILES for 1-(iminomethylidene)guanidine is [H]/N=C(/N)N=C=N.
What is the InChIKey of 1-(iminomethylidene)guanidine?
The InChIKey is OYAIEFRTTVBGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N4/c3-1-6-2(4)5/h3H,(H3,4,5).
What are the key properties of 1-(iminomethylidene)guanidine?
1-(iminomethylidene)guanidine has a molecular weight of 84.08 g/mol, XLogP of -0.37, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iminomethylidene)guanidine is sourced from PubChem (CID 5256135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).