chlorotriazene

H2ClN3 — CID 22134374

IUPAC—
SMILESN/N=N/Cl
InChIInChI=1S/ClH2N3/c1-3-4-2/h(H2,2,3)
InChIKeyYPMQCFYNKFCBLB-UHFFFAOYSA-N
MW79.49 g/mol
LogP0.47
Rot. Bonds

About chlorotriazene

chlorotriazene (PubChem CID 22134374) has the molecular formula H2ClN3 and a molecular weight of 79.49 g/mol.

Molecular Properties

Compound Namechlorotriazene
PubChem CID22134374
Molecular FormulaH2ClN3
Molecular Weight79.49 g/mol
Exact Mass78.99
IUPAC Name—
SMILESN/N=N/Cl
InChIInChI=1S/ClH2N3/c1-3-4-2/h(H2,2,3)
InChIKeyYPMQCFYNKFCBLB-UHFFFAOYSA-N
XLogP0.47
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50079.49
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'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 chlorotriazene?
The IUPAC name of chlorotriazene (CID 22134374) is not available.
What is the SMILES notation for chlorotriazene?
The canonical SMILES for chlorotriazene is N/N=N/Cl.
What is the InChIKey of chlorotriazene?
The InChIKey is YPMQCFYNKFCBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/ClH2N3/c1-3-4-2/h(H2,2,3).
What are the key properties of chlorotriazene?
chlorotriazene has a molecular weight of 79.49 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlorotriazene is sourced from PubChem (CID 22134374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).