2-cyanoguanidine

C2H4N4 — CID 10005

IUPAC2-cyanoguanidine
SMILESN#CN=C(N)N
InChIInChI=1S/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6)
InChIKeyQGBSISYHAICWAH-UHFFFAOYSA-N
MW84.08 g/mol
LogP-1.26
Rot. Bonds

About 2-cyanoguanidine

2-cyanoguanidine (PubChem CID 10005) has the molecular formula C2H4N4 and a molecular weight of 84.08 g/mol. Its IUPAC name is 2-cyanoguanidine.

Molecular Properties

Compound Name2-cyanoguanidine
PubChem CID10005
Molecular FormulaC2H4N4
Molecular Weight84.08 g/mol
Exact Mass84.04
IUPAC Name2-cyanoguanidine
SMILESN#CN=C(N)N
InChIInChI=1S/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6)
InChIKeyQGBSISYHAICWAH-UHFFFAOYSA-N
XLogP-1.26
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.08
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'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 2-cyanoguanidine?
The IUPAC name of 2-cyanoguanidine (CID 10005) is 2-cyanoguanidine.
What is the SMILES notation for 2-cyanoguanidine?
The canonical SMILES for 2-cyanoguanidine is N#CN=C(N)N.
What is the InChIKey of 2-cyanoguanidine?
The InChIKey is QGBSISYHAICWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6).
What are the key properties of 2-cyanoguanidine?
2-cyanoguanidine has a molecular weight of 84.08 g/mol, XLogP of -1.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoguanidine is sourced from PubChem (CID 10005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).