CID 154029662

H2Cl2N4 — CID 154029662

IUPAC—
SMILESNN=NN(Cl)Cl
InChIInChI=1S/Cl2H2N4/c1-6(2)5-4-3/h(H2,3,5)
InChIKeyUISIURCAMWTBHM-UHFFFAOYSA-N
MW128.95 g/mol
LogP0.84
Rot. Bonds1

About CID 154029662

CID 154029662 (PubChem CID 154029662) has the molecular formula H2Cl2N4 and a molecular weight of 128.95 g/mol.

Molecular Properties

Compound NameCID 154029662
PubChem CID154029662
Molecular FormulaH2Cl2N4
Molecular Weight128.95 g/mol
Exact Mass127.97
IUPAC Name—
SMILESNN=NN(Cl)Cl
InChIInChI=1S/Cl2H2N4/c1-6(2)5-4-3/h(H2,3,5)
InChIKeyUISIURCAMWTBHM-UHFFFAOYSA-N
XLogP0.84
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.95
LogP ≤ 50.84
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': 'N-halo', '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 CID 154029662?
The IUPAC name of CID 154029662 (CID 154029662) is not available.
What is the SMILES notation for CID 154029662?
The canonical SMILES for CID 154029662 is NN=NN(Cl)Cl.
What is the InChIKey of CID 154029662?
The InChIKey is UISIURCAMWTBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/Cl2H2N4/c1-6(2)5-4-3/h(H2,3,5).
What are the key properties of CID 154029662?
CID 154029662 has a molecular weight of 128.95 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154029662 is sourced from PubChem (CID 154029662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).