1,1,2-triaminoguanidine;hydrochloride

CH9ClN6 — CID 73462575

IUPAC1,1,2-triaminoguanidine;hydrochloride
SMILESCl.NN=C(N)N(N)N
InChIInChI=1S/CH8N6.ClH/c2-1(6-3)7(4)5;/h3-5H2,(H2,2,6);1H
InChIKeyVYTRGRLCKXQCED-UHFFFAOYSA-N
MW140.58 g/mol
LogP-2.35
Rot. Bonds

About 1,1,2-triaminoguanidine;hydrochloride

1,1,2-triaminoguanidine;hydrochloride (PubChem CID 73462575) has the molecular formula CH9ClN6 and a molecular weight of 140.58 g/mol. Its IUPAC name is 1,1,2-triaminoguanidine;hydrochloride.

Molecular Properties

Compound Name1,1,2-triaminoguanidine;hydrochloride
PubChem CID73462575
Molecular FormulaCH9ClN6
Molecular Weight140.58 g/mol
Exact Mass140.06
IUPAC Name1,1,2-triaminoguanidine;hydrochloride
SMILESCl.NN=C(N)N(N)N
InChIInChI=1S/CH8N6.ClH/c2-1(6-3)7(4)5;/h3-5H2,(H2,2,6);1H
InChIKeyVYTRGRLCKXQCED-UHFFFAOYSA-N
XLogP-2.35
TPSA119.68 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.58
LogP ≤ 5-2.35
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 1,1,2-triaminoguanidine;hydrochloride?
The IUPAC name of 1,1,2-triaminoguanidine;hydrochloride (CID 73462575) is 1,1,2-triaminoguanidine;hydrochloride.
What is the SMILES notation for 1,1,2-triaminoguanidine;hydrochloride?
The canonical SMILES for 1,1,2-triaminoguanidine;hydrochloride is Cl.NN=C(N)N(N)N.
What is the InChIKey of 1,1,2-triaminoguanidine;hydrochloride?
The InChIKey is VYTRGRLCKXQCED-UHFFFAOYSA-N. The full InChI is InChI=1S/CH8N6.ClH/c2-1(6-3)7(4)5;/h3-5H2,(H2,2,6);1H.
What are the key properties of 1,1,2-triaminoguanidine;hydrochloride?
1,1,2-triaminoguanidine;hydrochloride has a molecular weight of 140.58 g/mol, XLogP of -2.35, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-triaminoguanidine;hydrochloride is sourced from PubChem (CID 73462575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).