CID 131877580

H6Cl2N2 — CID 131877580

IUPAC—
SMILES[15NH2][15NH2].[2H]Cl.[2H]Cl
InChIInChI=1S/2ClH.H4N2/c;;1-2/h2*1H;1-2H2/i;;1+1,2+1/hD2
InChIKeyLIAWOTKNAVAKCX-VTHUINLMSA-N
MW108.97 g/mol
LogP-0.34
Rot. Bonds

About CID 131877580

CID 131877580 (PubChem CID 131877580) has the molecular formula H6Cl2N2 and a molecular weight of 108.97 g/mol.

Molecular Properties

Compound NameCID 131877580
PubChem CID131877580
Molecular FormulaH6Cl2N2
Molecular Weight108.97 g/mol
Exact Mass108.00
IUPAC Name—
SMILES[15NH2][15NH2].[2H]Cl.[2H]Cl
InChIInChI=1S/2ClH.H4N2/c;;1-2/h2*1H;1-2H2/i;;1+1,2+1/hD2
InChIKeyLIAWOTKNAVAKCX-VTHUINLMSA-N
XLogP-0.34
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.97
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 CID 131877580?
The IUPAC name of CID 131877580 (CID 131877580) is not available.
What is the SMILES notation for CID 131877580?
The canonical SMILES for CID 131877580 is [15NH2][15NH2].[2H]Cl.[2H]Cl.
What is the InChIKey of CID 131877580?
The InChIKey is LIAWOTKNAVAKCX-VTHUINLMSA-N. The full InChI is InChI=1S/2ClH.H4N2/c;;1-2/h2*1H;1-2H2/i;;1+1,2+1/hD2.
What are the key properties of CID 131877580?
CID 131877580 has a molecular weight of 108.97 g/mol, XLogP of -0.34, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131877580 is sourced from PubChem (CID 131877580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).