1,2,3-triamino-1-ethylguanidine

C3H12N6 — CID 155378080

IUPAC1,2,3-triamino-1-ethylguanidine
SMILESCCN(N)/C(=N/N)NN
InChIInChI=1S/C3H12N6/c1-2-9(6)3(7-4)8-5/h2,4-6H2,1H3,(H,7,8)
InChIKeyGGYUVLZBNYJWPF-UHFFFAOYSA-N
MW132.17 g/mol
LogP-2.12
Rot. Bonds1

About 1,2,3-triamino-1-ethylguanidine

1,2,3-triamino-1-ethylguanidine (PubChem CID 155378080) has the molecular formula C3H12N6 and a molecular weight of 132.17 g/mol. Its IUPAC name is 1,2,3-triamino-1-ethylguanidine.

Molecular Properties

Compound Name1,2,3-triamino-1-ethylguanidine
PubChem CID155378080
Molecular FormulaC3H12N6
Molecular Weight132.17 g/mol
Exact Mass132.11
IUPAC Name1,2,3-triamino-1-ethylguanidine
SMILESCCN(N)/C(=N/N)NN
InChIInChI=1S/C3H12N6/c1-2-9(6)3(7-4)8-5/h2,4-6H2,1H3,(H,7,8)
InChIKeyGGYUVLZBNYJWPF-UHFFFAOYSA-N
XLogP-2.12
TPSA105.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 5-2.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-triamino-1-ethylguanidine?
The IUPAC name of 1,2,3-triamino-1-ethylguanidine (CID 155378080) is 1,2,3-triamino-1-ethylguanidine.
What is the SMILES notation for 1,2,3-triamino-1-ethylguanidine?
The canonical SMILES for 1,2,3-triamino-1-ethylguanidine is CCN(N)/C(=N/N)NN.
What is the InChIKey of 1,2,3-triamino-1-ethylguanidine?
The InChIKey is GGYUVLZBNYJWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H12N6/c1-2-9(6)3(7-4)8-5/h2,4-6H2,1H3,(H,7,8).
What are the key properties of 1,2,3-triamino-1-ethylguanidine?
1,2,3-triamino-1-ethylguanidine has a molecular weight of 132.17 g/mol, XLogP of -2.12, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-triamino-1-ethylguanidine is sourced from PubChem (CID 155378080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).