guanidine

C3H15N9 — CID 87073443

IUPACguanidine
SMILES[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N
InChIInChI=1S/3CH5N3/c3*2-1(3)4/h3*(H5,2,3,4)
InChIKeyNRSJVZICLCJQNB-UHFFFAOYSA-N
MW177.22 g/mol
LogP-3.48
Rot. Bonds

About guanidine

guanidine (PubChem CID 87073443) has the molecular formula C3H15N9 and a molecular weight of 177.22 g/mol. Its IUPAC name is guanidine.

Molecular Properties

Compound Nameguanidine
PubChem CID87073443
Molecular FormulaC3H15N9
Molecular Weight177.22 g/mol
Exact Mass177.15
IUPAC Nameguanidine
SMILES[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N
InChIInChI=1S/3CH5N3/c3*2-1(3)4/h3*(H5,2,3,4)
InChIKeyNRSJVZICLCJQNB-UHFFFAOYSA-N
XLogP-3.48
TPSA227.67 Ų
H-Bond Donors9
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500177.22
LogP ≤ 5-3.48
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of guanidine?
The IUPAC name of guanidine (CID 87073443) is guanidine.
What is the SMILES notation for guanidine?
The canonical SMILES for guanidine is [H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N.
What is the InChIKey of guanidine?
The InChIKey is NRSJVZICLCJQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/3CH5N3/c3*2-1(3)4/h3*(H5,2,3,4).
What are the key properties of guanidine?
guanidine has a molecular weight of 177.22 g/mol, XLogP of -3.48, 0 rotatable bonds, 9 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for guanidine is sourced from PubChem (CID 87073443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).