chloroplatinum(1+);1-methyl-5,7-bis(pyrazol-1-ylmethyl)-6H-pyrrolo[1,2-a]imidazol-6-ide

C15H15ClN6Pt — CID 59685596

IUPACchloroplatinum(1+);1-methyl-5,7-bis(pyrazol-1-ylmethyl)-6H-pyrrolo[1,2-a]imidazol-6-ide
SMILESCl[Pt+].Cn1ccn2c(Cn3cccn3)[c-]c(Cn3cccn3)c12
InChIInChI=1S/C15H15N6.ClH.Pt/c1-18-8-9-21-14(12-20-7-3-5-17-20)10-13(15(18)21)11-19-6-2-4-16-19;;/h2-9H,11-12H2,1H3;1H;/q-1;;+2/p-1
InChIKeyREGSHNJYQCKXKS-UHFFFAOYSA-M
MW509.86 g/mol
LogP2.25
Rot. Bonds4

About chloroplatinum(1+);1-methyl-5,7-bis(pyrazol-1-ylmethyl)-6H-pyrrolo[1,2-a]imidazol-6-ide

chloroplatinum(1+);1-methyl-5,7-bis(pyrazol-1-ylmethyl)-6H-pyrrolo[1,2-a]imidazol-6-ide (PubChem CID 59685596) has the molecular formula C15H15ClN6Pt and a molecular weight of 509.86 g/mol. Its IUPAC name is chloroplatinum(1+);1-methyl-5,7-bis(pyrazol-1-ylmethyl)-6H-pyrrolo[1,2-a]imidazol-6-ide.

Molecular Properties

Compound Namechloroplatinum(1+);1-methyl-5,7-bis(pyrazol-1-ylmethyl)-6H-pyrrolo[1,2-a]imidazol-6-ide
PubChem CID59685596
Molecular FormulaC15H15ClN6Pt
Molecular Weight509.86 g/mol
Exact Mass509.07
IUPAC Namechloroplatinum(1+);1-methyl-5,7-bis(pyrazol-1-ylmethyl)-6H-pyrrolo[1,2-a]imidazol-6-ide
SMILESCl[Pt+].Cn1ccn2c(Cn3cccn3)[c-]c(Cn3cccn3)c12
InChIInChI=1S/C15H15N6.ClH.Pt/c1-18-8-9-21-14(12-20-7-3-5-17-20)10-13(15(18)21)11-19-6-2-4-16-19;;/h2-9H,11-12H2,1H3;1H;/q-1;;+2/p-1
InChIKeyREGSHNJYQCKXKS-UHFFFAOYSA-M
XLogP2.25
TPSA44.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.86
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

chloroplatinum(1+);1-[[1-methyl-2-(pyrazol-1-ylmethyl)-3H-pyrrol-3-id-4-yl]methyl]pyrazole
CID 59685562
Chloroplatinum(1+);1-[[3-(pyrazol-1-ylmethyl)benzene-2-id-1-yl]methyl]pyrazole
CID 59685664

Frequently Asked Questions

What is the IUPAC name of chloroplatinum(1+);1-methyl-5,7-bis(pyrazol-1-ylmethyl)-6H-pyrrolo[1,2-a]imidazol-6-ide?
The IUPAC name of chloroplatinum(1+);1-methyl-5,7-bis(pyrazol-1-ylmethyl)-6H-pyrrolo[1,2-a]imidazol-6-ide (CID 59685596) is chloroplatinum(1+);1-methyl-5,7-bis(pyrazol-1-ylmethyl)-6H-pyrrolo[1,2-a]imidazol-6-ide.
What is the SMILES notation for chloroplatinum(1+);1-methyl-5,7-bis(pyrazol-1-ylmethyl)-6H-pyrrolo[1,2-a]imidazol-6-ide?
The canonical SMILES for chloroplatinum(1+);1-methyl-5,7-bis(pyrazol-1-ylmethyl)-6H-pyrrolo[1,2-a]imidazol-6-ide is Cl[Pt+].Cn1ccn2c(Cn3cccn3)[c-]c(Cn3cccn3)c12.
What is the InChIKey of chloroplatinum(1+);1-methyl-5,7-bis(pyrazol-1-ylmethyl)-6H-pyrrolo[1,2-a]imidazol-6-ide?
The InChIKey is REGSHNJYQCKXKS-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H15N6.ClH.Pt/c1-18-8-9-21-14(12-20-7-3-5-17-20)10-13(15(18)21)11-19-6-2-4-16-19;;/h2-9H,11-12H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of chloroplatinum(1+);1-methyl-5,7-bis(pyrazol-1-ylmethyl)-6H-pyrrolo[1,2-a]imidazol-6-ide?
chloroplatinum(1+);1-methyl-5,7-bis(pyrazol-1-ylmethyl)-6H-pyrrolo[1,2-a]imidazol-6-ide has a molecular weight of 509.86 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chloroplatinum(1+);1-methyl-5,7-bis(pyrazol-1-ylmethyl)-6H-pyrrolo[1,2-a]imidazol-6-ide is sourced from PubChem (CID 59685596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).