CID 58065563

H2ClN5 — CID 58065563

IUPAC—
SMILESN/N=N/N=N/Cl
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 58065563

CID 58065563 (PubChem CID 58065563) has the molecular formula H2ClN5 and a molecular weight of 107.50 g/mol.

Molecular Properties

Compound NameCID 58065563
PubChem CID58065563
Molecular FormulaH2ClN5
Molecular Weight107.50 g/mol
Exact Mass107.00
IUPAC Name—
SMILESN/N=N/N=N/Cl
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'}

Analyze CID 58065563 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Chlorotriazene
CID 22134374
Chlorodiimine
CID 20778768
(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
CID 59829784
CID 59829784
(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 58065563?
The IUPAC name of CID 58065563 (CID 58065563) is not available.
What is the SMILES notation for CID 58065563?
The canonical SMILES for CID 58065563 is N/N=N/N=N/Cl.
What is the InChIKey of CID 58065563?
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 58065563?
CID 58065563 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 58065563 is sourced from PubChem (CID 58065563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).