1,1,2-triaminoguanidine;hydrate

CH10N6O — CID 87764587

IUPAC1,1,2-triaminoguanidine;hydrate
SMILESN/N=C(\N)N(N)N.O
InChIInChI=1S/CH8N6.H2O/c2-1(6-3)7(4)5;/h3-5H2,(H2,2,6);1H2
InChIKeyKUIAUENYEOTCHE-UHFFFAOYSA-N
MW122.13 g/mol
LogP-3.60
Rot. Bonds

About 1,1,2-triaminoguanidine;hydrate

1,1,2-triaminoguanidine;hydrate (PubChem CID 87764587) has the molecular formula CH10N6O and a molecular weight of 122.13 g/mol. Its IUPAC name is 1,1,2-triaminoguanidine;hydrate.

Molecular Properties

Compound Name1,1,2-triaminoguanidine;hydrate
PubChem CID87764587
Molecular FormulaCH10N6O
Molecular Weight122.13 g/mol
Exact Mass122.09
IUPAC Name1,1,2-triaminoguanidine;hydrate
SMILESN/N=C(\N)N(N)N.O
InChIInChI=1S/CH8N6.H2O/c2-1(6-3)7(4)5;/h3-5H2,(H2,2,6);1H2
InChIKeyKUIAUENYEOTCHE-UHFFFAOYSA-N
XLogP-3.60
TPSA151.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 5-3.60
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;hydrate?
The IUPAC name of 1,1,2-triaminoguanidine;hydrate (CID 87764587) is 1,1,2-triaminoguanidine;hydrate.
What is the SMILES notation for 1,1,2-triaminoguanidine;hydrate?
The canonical SMILES for 1,1,2-triaminoguanidine;hydrate is N/N=C(\N)N(N)N.O.
What is the InChIKey of 1,1,2-triaminoguanidine;hydrate?
The InChIKey is KUIAUENYEOTCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/CH8N6.H2O/c2-1(6-3)7(4)5;/h3-5H2,(H2,2,6);1H2.
What are the key properties of 1,1,2-triaminoguanidine;hydrate?
1,1,2-triaminoguanidine;hydrate has a molecular weight of 122.13 g/mol, XLogP of -3.60, 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;hydrate is sourced from PubChem (CID 87764587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).