triazane;hydrate

H7N3O — CID 162025964

IUPACtriazane;hydrate
SMILESNNN.O
InChIInChI=1S/H5N3.H2O/c1-3-2;/h3H,1-2H2;1H2
InChIKeyYVJKLEVWKUTLRU-UHFFFAOYSA-N
MW65.08 g/mol
LogP-2.50
Rot. Bonds

About triazane;hydrate

triazane;hydrate (PubChem CID 162025964) has the molecular formula H7N3O and a molecular weight of 65.08 g/mol. Its IUPAC name is triazane;hydrate.

Molecular Properties

Compound Nametriazane;hydrate
PubChem CID162025964
Molecular FormulaH7N3O
Molecular Weight65.08 g/mol
Exact Mass65.06
IUPAC Nametriazane;hydrate
SMILESNNN.O
InChIInChI=1S/H5N3.H2O/c1-3-2;/h3H,1-2H2;1H2
InChIKeyYVJKLEVWKUTLRU-UHFFFAOYSA-N
XLogP-2.50
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50065.08
LogP ≤ 5-2.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 triazane;hydrate?
The IUPAC name of triazane;hydrate (CID 162025964) is triazane;hydrate.
What is the SMILES notation for triazane;hydrate?
The canonical SMILES for triazane;hydrate is NNN.O.
What is the InChIKey of triazane;hydrate?
The InChIKey is YVJKLEVWKUTLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/H5N3.H2O/c1-3-2;/h3H,1-2H2;1H2.
What are the key properties of triazane;hydrate?
triazane;hydrate has a molecular weight of 65.08 g/mol, XLogP of -2.50, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triazane;hydrate is sourced from PubChem (CID 162025964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).