butan-2-ylazanide;trichloroplatinum;nitrite

C4H9Cl3N2O2Pt-3 — CID 58445435

IUPACbutan-2-ylazanide;trichloroplatinum;nitrite
SMILESCl[Pt](Cl)Cl.O=N[O-].[CH2-]CC(C)[NH-]
InChIInChI=1S/C4H9N.3ClH.HNO2.Pt/c1-3-4(2)5;;;;2-1-3;/h4-5H,1,3H2,2H3;3*1H;(H,2,3);/q-2;;;;;+3/p-4
InChIKeyUSGCANIUAZDPAO-UHFFFAOYSA-J
MW418.57 g/mol
LogP3.97
Rot. Bonds1

About butan-2-ylazanide;trichloroplatinum;nitrite

butan-2-ylazanide;trichloroplatinum;nitrite (PubChem CID 58445435) has the molecular formula C4H9Cl3N2O2Pt-3 and a molecular weight of 418.57 g/mol. Its IUPAC name is butan-2-ylazanide;trichloroplatinum;nitrite.

Molecular Properties

Compound Namebutan-2-ylazanide;trichloroplatinum;nitrite
PubChem CID58445435
Molecular FormulaC4H9Cl3N2O2Pt-3
Molecular Weight418.57 g/mol
Exact Mass416.94
IUPAC Namebutan-2-ylazanide;trichloroplatinum;nitrite
SMILESCl[Pt](Cl)Cl.O=N[O-].[CH2-]CC(C)[NH-]
InChIInChI=1S/C4H9N.3ClH.HNO2.Pt/c1-3-4(2)5;;;;2-1-3;/h4-5H,1,3H2,2H3;3*1H;(H,2,3);/q-2;;;;;+3/p-4
InChIKeyUSGCANIUAZDPAO-UHFFFAOYSA-J
XLogP3.97
TPSA76.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.57
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze butan-2-ylazanide;trichloroplatinum;nitrite 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

2-hydroxybutylazanide;trichloroplatinum;nitrite
CID 58445433
ethane;yttrium;nitrite
CID 21028274
methylazanide;yttrium;nitrite
CID 58083697
sodium;propane-1,2-diol;nitrite
CID 158616438
lithium nitrite
CID 23673709
CID 20981982
CID 20981982
lead(2+) nitrite
CID 23623754
thorium nitrite
CID 154069841
CID 19007947
CID 19007947
nickel(2+) dinitrite
CID 20831815
silver nitrite
CID 25199704
praseodymium(3+) trinitrite
CID 161020304

Frequently Asked Questions

What is the IUPAC name of butan-2-ylazanide;trichloroplatinum;nitrite?
The IUPAC name of butan-2-ylazanide;trichloroplatinum;nitrite (CID 58445435) is butan-2-ylazanide;trichloroplatinum;nitrite.
What is the SMILES notation for butan-2-ylazanide;trichloroplatinum;nitrite?
The canonical SMILES for butan-2-ylazanide;trichloroplatinum;nitrite is Cl[Pt](Cl)Cl.O=N[O-].[CH2-]CC(C)[NH-].
What is the InChIKey of butan-2-ylazanide;trichloroplatinum;nitrite?
The InChIKey is USGCANIUAZDPAO-UHFFFAOYSA-J. The full InChI is InChI=1S/C4H9N.3ClH.HNO2.Pt/c1-3-4(2)5;;;;2-1-3;/h4-5H,1,3H2,2H3;3*1H;(H,2,3);/q-2;;;;;+3/p-4.
What are the key properties of butan-2-ylazanide;trichloroplatinum;nitrite?
butan-2-ylazanide;trichloroplatinum;nitrite has a molecular weight of 418.57 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylazanide;trichloroplatinum;nitrite is sourced from PubChem (CID 58445435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).