bis(5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one);platinum(2+);dichloride

C12H12Cl2N8O2Pt — CID 10257356

IUPACbis(5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one);platinum(2+);dichloride
SMILESCc1cc(=O)n2[nH]cnc2n1.Cc1cc(=O)n2[nH]cnc2n1.[Cl-].[Cl-].[Pt+2]
InChIInChI=1S/2C6H6N4O.2ClH.Pt/c2*1-4-2-5(11)10-6(9-4)7-3-8-10;;;/h2*2-3H,1H3,(H,7,8,9);2*1H;/q;;;;+2/p-2
InChIKeyAYGMVSWALYHKDI-UHFFFAOYSA-L
MW566.27 g/mol
LogP-6.54
Rot. Bonds

About bis(5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one);platinum(2+);dichloride

bis(5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one);platinum(2+);dichloride (PubChem CID 10257356) has the molecular formula C12H12Cl2N8O2Pt and a molecular weight of 566.27 g/mol. Its IUPAC name is bis(5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one);platinum(2+);dichloride.

Molecular Properties

Compound Namebis(5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one);platinum(2+);dichloride
PubChem CID10257356
Molecular FormulaC12H12Cl2N8O2Pt
Molecular Weight566.27 g/mol
Exact Mass565.01
IUPAC Namebis(5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one);platinum(2+);dichloride
SMILESCc1cc(=O)n2[nH]cnc2n1.Cc1cc(=O)n2[nH]cnc2n1.[Cl-].[Cl-].[Pt+2]
InChIInChI=1S/2C6H6N4O.2ClH.Pt/c2*1-4-2-5(11)10-6(9-4)7-3-8-10;;;/h2*2-3H,1H3,(H,7,8,9);2*1H;/q;;;;+2/p-2
InChIKeyAYGMVSWALYHKDI-UHFFFAOYSA-L
XLogP-6.54
TPSA126.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.27
LogP ≤ 5-6.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of bis(5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one);platinum(2+);dichloride?
The IUPAC name of bis(5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one);platinum(2+);dichloride (CID 10257356) is bis(5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one);platinum(2+);dichloride.
What is the SMILES notation for bis(5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one);platinum(2+);dichloride?
The canonical SMILES for bis(5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one);platinum(2+);dichloride is Cc1cc(=O)n2[nH]cnc2n1.Cc1cc(=O)n2[nH]cnc2n1.[Cl-].[Cl-].[Pt+2].
What is the InChIKey of bis(5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one);platinum(2+);dichloride?
The InChIKey is AYGMVSWALYHKDI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H6N4O.2ClH.Pt/c2*1-4-2-5(11)10-6(9-4)7-3-8-10;;;/h2*2-3H,1H3,(H,7,8,9);2*1H;/q;;;;+2/p-2.
What are the key properties of bis(5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one);platinum(2+);dichloride?
bis(5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one);platinum(2+);dichloride has a molecular weight of 566.27 g/mol, XLogP of -6.54, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one);platinum(2+);dichloride is sourced from PubChem (CID 10257356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).