2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;platinum(2+);bis(pyridine)

C32H24F6N16Pt — CID 158475353

IUPAC2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;platinum(2+);bis(pyridine)
SMILESCc1n[n-]c(-c2cccc(-c3nc(C(F)(F)F)n[n-]3)n2)n1.Cc1nc(-c2cccc(-c3n[nH]c(C(F)(F)F)n3)n2)n[nH]1.[Pt+2].c1ccncc1.c1ccncc1
InChIInChI=1S/C11H8F3N7.C11H6F3N7.2C5H5N.Pt/c2*1-5-15-8(19-18-5)6-3-2-4-7(16-6)9-17-10(21-20-9)11(12,13)14;2*1-2-4-6-5-3-1;/h2-4H,1H3,(H,15,18,19)(H,17,20,21);2-4H,1H3;2*1-5H;/q;-2;;;+2
InChIKeyHGWCJTDHLATRDQ-UHFFFAOYSA-N
MW941.72 g/mol
LogP5.38
Rot. Bonds4

About 2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;platinum(2+);bis(pyridine)

2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;platinum(2+);bis(pyridine) (PubChem CID 158475353) has the molecular formula C32H24F6N16Pt and a molecular weight of 941.72 g/mol. Its IUPAC name is 2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;platinum(2+);bis(pyridine).

Molecular Properties

Compound Name2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;platinum(2+);bis(pyridine)
PubChem CID158475353
Molecular FormulaC32H24F6N16Pt
Molecular Weight941.72 g/mol
Exact Mass941.19
IUPAC Name2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;platinum(2+);bis(pyridine)
SMILESCc1n[n-]c(-c2cccc(-c3nc(C(F)(F)F)n[n-]3)n2)n1.Cc1nc(-c2cccc(-c3n[nH]c(C(F)(F)F)n3)n2)n[nH]1.[Pt+2].c1ccncc1.c1ccncc1
InChIInChI=1S/C11H8F3N7.C11H6F3N7.2C5H5N.Pt/c2*1-5-15-8(19-18-5)6-3-2-4-7(16-6)9-17-10(21-20-9)11(12,13)14;2*1-2-4-6-5-3-1;/h2-4H,1H3,(H,15,18,19)(H,17,20,21);2-4H,1H3;2*1-5H;/q;-2;;;+2
InChIKeyHGWCJTDHLATRDQ-UHFFFAOYSA-N
XLogP5.38
TPSA214.46 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms55
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500941.72
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;platinum(2+);bis(pyridine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;platinum(2+);bis(pyridine)?
The IUPAC name of 2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;platinum(2+);bis(pyridine) (CID 158475353) is 2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;platinum(2+);bis(pyridine).
What is the SMILES notation for 2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;platinum(2+);bis(pyridine)?
The canonical SMILES for 2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;platinum(2+);bis(pyridine) is Cc1n[n-]c(-c2cccc(-c3nc(C(F)(F)F)n[n-]3)n2)n1.Cc1nc(-c2cccc(-c3n[nH]c(C(F)(F)F)n3)n2)n[nH]1.[Pt+2].c1ccncc1.c1ccncc1.
What is the InChIKey of 2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;platinum(2+);bis(pyridine)?
The InChIKey is HGWCJTDHLATRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N7.C11H6F3N7.2C5H5N.Pt/c2*1-5-15-8(19-18-5)6-3-2-4-7(16-6)9-17-10(21-20-9)11(12,13)14;2*1-2-4-6-5-3-1;/h2-4H,1H3,(H,15,18,19)(H,17,20,21);2-4H,1H3;2*1-5H;/q;-2;;;+2.
What are the key properties of 2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;platinum(2+);bis(pyridine)?
2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;platinum(2+);bis(pyridine) has a molecular weight of 941.72 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)-6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2-(5-methyl-1H-1,2,4-triazol-3-yl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine;platinum(2+);bis(pyridine) is sourced from PubChem (CID 158475353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).