3-methyl-5-(1-methylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-phenylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-propan-2-ylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;tris(platinum(2+));tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine)

C52H42F9N27Pt3 — CID 159570100

IUPAC3-methyl-5-(1-methylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-phenylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-propan-2-ylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;tris(platinum(2+));tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine)
SMILESCc1n[n-]c(-c2nccn2-c2ccccc2)n1.Cc1n[n-]c(-c2nccn2C(C)C)n1.Cc1n[n-]c(-c2nccn2C)n1.FC(F)(F)c1cc(-c2cnccn2)[n-]n1.FC(F)(F)c1cc(-c2cnccn2)[n-]n1.FC(F)(F)c1cc(-c2cnccn2)[n-]n1.[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C12H10N5.C9H12N5.3C8H4F3N4.C7H8N5.3Pt/c1-9-14-11(16-15-9)12-13-7-8-17(12)10-5-3-2-4-6-10;1-6(2)14-5-4-10-9(14)8-11-7(3)12-13-8;3*9-8(10,11)7-3-5(14-15-7)6-4-12-1-2-13-6;1-5-9-6(11-10-5)7-8-3-4-12(7)2;;;/h2-8H,1H3;4-6H,1-3H3;3*1-4H;3-4H,1-2H3;;;/q6*-1;3*+2
InChIKeyMHRXFGYERMZMKH-UHFFFAOYSA-N
MW1801.31 g/mol
LogP7.46
Rot. Bonds8

About 3-methyl-5-(1-methylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-phenylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-propan-2-ylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;tris(platinum(2+));tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine)

3-methyl-5-(1-methylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-phenylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-propan-2-ylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;tris(platinum(2+));tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine) (PubChem CID 159570100) has the molecular formula C52H42F9N27Pt3 and a molecular weight of 1801.31 g/mol. Its IUPAC name is 3-methyl-5-(1-methylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-phenylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-propan-2-ylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;tris(platinum(2+));tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine).

Molecular Properties

Compound Name3-methyl-5-(1-methylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-phenylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-propan-2-ylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;tris(platinum(2+));tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine)
PubChem CID159570100
Molecular FormulaC52H42F9N27Pt3
Molecular Weight1801.31 g/mol
Exact Mass1800.29
IUPAC Name3-methyl-5-(1-methylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-phenylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-propan-2-ylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;tris(platinum(2+));tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine)
SMILESCc1n[n-]c(-c2nccn2-c2ccccc2)n1.Cc1n[n-]c(-c2nccn2C(C)C)n1.Cc1n[n-]c(-c2nccn2C)n1.FC(F)(F)c1cc(-c2cnccn2)[n-]n1.FC(F)(F)c1cc(-c2cnccn2)[n-]n1.FC(F)(F)c1cc(-c2cnccn2)[n-]n1.[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C12H10N5.C9H12N5.3C8H4F3N4.C7H8N5.3Pt/c1-9-14-11(16-15-9)12-13-7-8-17(12)10-5-3-2-4-6-10;1-6(2)14-5-4-10-9(14)8-11-7(3)12-13-8;3*9-8(10,11)7-3-5(14-15-7)6-4-12-1-2-13-6;1-5-9-6(11-10-5)7-8-3-4-12(7)2;;;/h2-8H,1H3;4-6H,1-3H3;3*1-4H;3-4H,1-2H3;;;/q6*-1;3*+2
InChIKeyMHRXFGYERMZMKH-UHFFFAOYSA-N
XLogP7.46
TPSA331.41 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds8
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001801.31
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 3-methyl-5-(1-methylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-phenylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-propan-2-ylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;tris(platinum(2+));tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-methylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-phenylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-propan-2-ylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;tris(platinum(2+));tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine)?
The IUPAC name of 3-methyl-5-(1-methylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-phenylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-propan-2-ylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;tris(platinum(2+));tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine) (CID 159570100) is 3-methyl-5-(1-methylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-phenylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-propan-2-ylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;tris(platinum(2+));tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine).
What is the SMILES notation for 3-methyl-5-(1-methylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-phenylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-propan-2-ylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;tris(platinum(2+));tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine)?
The canonical SMILES for 3-methyl-5-(1-methylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-phenylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-propan-2-ylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;tris(platinum(2+));tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine) is Cc1n[n-]c(-c2nccn2-c2ccccc2)n1.Cc1n[n-]c(-c2nccn2C(C)C)n1.Cc1n[n-]c(-c2nccn2C)n1.FC(F)(F)c1cc(-c2cnccn2)[n-]n1.FC(F)(F)c1cc(-c2cnccn2)[n-]n1.FC(F)(F)c1cc(-c2cnccn2)[n-]n1.[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 3-methyl-5-(1-methylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-phenylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-propan-2-ylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;tris(platinum(2+));tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine)?
The InChIKey is MHRXFGYERMZMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N5.C9H12N5.3C8H4F3N4.C7H8N5.3Pt/c1-9-14-11(16-15-9)12-13-7-8-17(12)10-5-3-2-4-6-10;1-6(2)14-5-4-10-9(14)8-11-7(3)12-13-8;3*9-8(10,11)7-3-5(14-15-7)6-4-12-1-2-13-6;1-5-9-6(11-10-5)7-8-3-4-12(7)2;;;/h2-8H,1H3;4-6H,1-3H3;3*1-4H;3-4H,1-2H3;;;/q6*-1;3*+2.
What are the key properties of 3-methyl-5-(1-methylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-phenylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-propan-2-ylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;tris(platinum(2+));tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine)?
3-methyl-5-(1-methylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-phenylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-propan-2-ylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;tris(platinum(2+));tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine) has a molecular weight of 1801.31 g/mol, XLogP of 7.46, 8 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-methylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-phenylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-propan-2-ylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;tris(platinum(2+));tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazine) is sourced from PubChem (CID 159570100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).