benzene-1,2-diamine;platinum(4+);trichloride;nitrite

C6H8Cl3N3O2Pt — CID 24738639

IUPACbenzene-1,2-diamine;platinum(4+);trichloride;nitrite
SMILESNc1ccccc1N.O=N[O-].[Cl-].[Cl-].[Cl-].[Pt+4]
InChIInChI=1S/C6H8N2.3ClH.HNO2.Pt/c7-5-3-1-2-4-6(5)8;;;;2-1-3;/h1-4H,7-8H2;3*1H;(H,2,3);/q;;;;;+4/p-4
InChIKeyTXZAFGDCXJKBFH-UHFFFAOYSA-J
MW455.59 g/mol
LogP-7.89
Rot. Bonds

About benzene-1,2-diamine;platinum(4+);trichloride;nitrite

benzene-1,2-diamine;platinum(4+);trichloride;nitrite (PubChem CID 24738639) has the molecular formula C6H8Cl3N3O2Pt and a molecular weight of 455.59 g/mol. Its IUPAC name is benzene-1,2-diamine;platinum(4+);trichloride;nitrite.

Molecular Properties

Compound Namebenzene-1,2-diamine;platinum(4+);trichloride;nitrite
PubChem CID24738639
Molecular FormulaC6H8Cl3N3O2Pt
Molecular Weight455.59 g/mol
Exact Mass453.93
IUPAC Namebenzene-1,2-diamine;platinum(4+);trichloride;nitrite
SMILESNc1ccccc1N.O=N[O-].[Cl-].[Cl-].[Cl-].[Pt+4]
InChIInChI=1S/C6H8N2.3ClH.HNO2.Pt/c7-5-3-1-2-4-6(5)8;;;;2-1-3;/h1-4H,7-8H2;3*1H;(H,2,3);/q;;;;;+4/p-4
InChIKeyTXZAFGDCXJKBFH-UHFFFAOYSA-J
XLogP-7.89
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.59
LogP ≤ 5-7.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 88604078
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CID 21144076

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diamine;platinum(4+);trichloride;nitrite?
The IUPAC name of benzene-1,2-diamine;platinum(4+);trichloride;nitrite (CID 24738639) is benzene-1,2-diamine;platinum(4+);trichloride;nitrite.
What is the SMILES notation for benzene-1,2-diamine;platinum(4+);trichloride;nitrite?
The canonical SMILES for benzene-1,2-diamine;platinum(4+);trichloride;nitrite is Nc1ccccc1N.O=N[O-].[Cl-].[Cl-].[Cl-].[Pt+4].
What is the InChIKey of benzene-1,2-diamine;platinum(4+);trichloride;nitrite?
The InChIKey is TXZAFGDCXJKBFH-UHFFFAOYSA-J. The full InChI is InChI=1S/C6H8N2.3ClH.HNO2.Pt/c7-5-3-1-2-4-6(5)8;;;;2-1-3;/h1-4H,7-8H2;3*1H;(H,2,3);/q;;;;;+4/p-4.
What are the key properties of benzene-1,2-diamine;platinum(4+);trichloride;nitrite?
benzene-1,2-diamine;platinum(4+);trichloride;nitrite has a molecular weight of 455.59 g/mol, XLogP of -7.89, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diamine;platinum(4+);trichloride;nitrite is sourced from PubChem (CID 24738639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).