CID 59829784

H2ClN5 — CID 59829784

IUPAC—
SMILESN/N=N/N=NCl
InChIInChI=1S/ClH2N5/c1-3-5-6-4-2/h(H2,2,3,6)
InChIKeyXNSCNZIQLAVORJ-UHFFFAOYSA-N
MW107.50 g/mol
LogP0.83
Rot. Bonds1

About CID 59829784

CID 59829784 (PubChem CID 59829784) has the molecular formula H2ClN5 and a molecular weight of 107.50 g/mol.

Molecular Properties

Compound NameCID 59829784
PubChem CID59829784
Molecular FormulaH2ClN5
Molecular Weight107.50 g/mol
Exact Mass107.00
IUPAC Name—
SMILESN/N=N/N=NCl
InChIInChI=1S/ClH2N5/c1-3-5-6-4-2/h(H2,2,3,6)
InChIKeyXNSCNZIQLAVORJ-UHFFFAOYSA-N
XLogP0.83
TPSA75.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.50
LogP ≤ 50.83
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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Related Compounds

Chlorotriazene
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Chlorodiimine
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CID 58065563
(E)-chloro-[(E)-[(E)-[(E)-[(E)-diazenyldiazenyl]diazenyl]diazenyl]diazenyl]diazene
CID 58098600
(Z)-chloro(diazenyl)diazene
CID 58757067
(E)-[(chloro-lambda3-chloranylidene)amino]-[(E)-diazenyldiazenyl]diazene
CID 58957461
Chloroiminoazanium
CID 59483577
(E)-chloro(diazenyl)diazene
CID 59622974
(Z)-chloro-[(E)-diazenyldiazenyl]diazene
CID 59902401
Chloro(diazenyl)diazene
CID 72414320
CID 73866696
CID 73866696
2-chloro-1H-hexazine
CID 87356906

Frequently Asked Questions

What is the IUPAC name of CID 59829784?
The IUPAC name of CID 59829784 (CID 59829784) is not available.
What is the SMILES notation for CID 59829784?
The canonical SMILES for CID 59829784 is N/N=N/N=NCl.
What is the InChIKey of CID 59829784?
The InChIKey is XNSCNZIQLAVORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/ClH2N5/c1-3-5-6-4-2/h(H2,2,3,6).
What are the key properties of CID 59829784?
CID 59829784 has a molecular weight of 107.50 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59829784 is sourced from PubChem (CID 59829784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).