triazane;dihydrochloride

H7Cl2N3 — CID 172843378

IUPACtriazane;dihydrochloride
SMILESCl.Cl.NNN
InChIInChI=1S/2ClH.H5N3/c;;1-3-2/h2*1H;3H,1-2H2
InChIKeyXCDCVQLYXMKYIB-UHFFFAOYSA-N
MW119.98 g/mol
LogP-0.83
Rot. Bonds

About triazane;dihydrochloride

triazane;dihydrochloride (PubChem CID 172843378) has the molecular formula H7Cl2N3 and a molecular weight of 119.98 g/mol. Its IUPAC name is triazane;dihydrochloride.

Molecular Properties

Compound Nametriazane;dihydrochloride
PubChem CID172843378
Molecular FormulaH7Cl2N3
Molecular Weight119.98 g/mol
Exact Mass119.00
IUPAC Nametriazane;dihydrochloride
SMILESCl.Cl.NNN
InChIInChI=1S/2ClH.H5N3/c;;1-3-2/h2*1H;3H,1-2H2
InChIKeyXCDCVQLYXMKYIB-UHFFFAOYSA-N
XLogP-0.83
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.98
LogP ≤ 5-0.83
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;dihydrochloride?
The IUPAC name of triazane;dihydrochloride (CID 172843378) is triazane;dihydrochloride.
What is the SMILES notation for triazane;dihydrochloride?
The canonical SMILES for triazane;dihydrochloride is Cl.Cl.NNN.
What is the InChIKey of triazane;dihydrochloride?
The InChIKey is XCDCVQLYXMKYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/2ClH.H5N3/c;;1-3-2/h2*1H;3H,1-2H2.
What are the key properties of triazane;dihydrochloride?
triazane;dihydrochloride has a molecular weight of 119.98 g/mol, XLogP of -0.83, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triazane;dihydrochloride is sourced from PubChem (CID 172843378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).