guanidine

CH5N3 — CID 3520

About guanidine

guanidine (PubChem CID 3520) has the molecular formula CH5N3 and a molecular weight of 59.07 g/mol. Its IUPAC name is guanidine.

Molecular Properties

• Compound Name: guanidine
• PubChem CID: 3520
• Molecular Formula: CH5N3
• Molecular Weight: 59.07 g/mol
• Exact Mass: 59.05
• IUPAC Name: guanidine
• SMILES: [H]N=C(N)N
• InChI: InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
• InChIKey: ZRALSGWEFCBTJO-UHFFFAOYSA-N
• XLogP: -1.16
• TPSA: 75.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 1
• Heavy Atoms: 4
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	59.07
LogP ≤ 5	-1.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of guanidine?

The IUPAC name of guanidine (CID 3520) is guanidine.

What is the SMILES notation for guanidine?

The canonical SMILES for guanidine is [H]N=C(N)N.

What is the InChIKey of guanidine?

The InChIKey is ZRALSGWEFCBTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4).

What are the key properties of guanidine?

guanidine has a molecular weight of 59.07 g/mol, XLogP of -1.16, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for guanidine is sourced from PubChem (CID 3520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).