1-N,1-N-diethyl-4-N-[2-(4H-pyridin-4-id-3-yl)tetrazol-5-yl]-4-N-[1-(4H-pyridin-4-id-3-yl)-1,2,4-triazol-3-yl]benzene-1,4-diamine;platinum(2+)

C23H21N11Pt — CID 59661236

About 1-N,1-N-diethyl-4-N-[2-(4H-pyridin-4-id-3-yl)tetrazol-5-yl]-4-N-[1-(4H-pyridin-4-id-3-yl)-1,2,4-triazol-3-yl]benzene-1,4-diamine;platinum(2+)

1-N,1-N-diethyl-4-N-[2-(4H-pyridin-4-id-3-yl)tetrazol-5-yl]-4-N-[1-(4H-pyridin-4-id-3-yl)-1,2,4-triazol-3-yl]benzene-1,4-diamine;platinum(2+) (PubChem CID 59661236) has the molecular formula C23H21N11Pt and a molecular weight of 646.58 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-[2-(4H-pyridin-4-id-3-yl)tetrazol-5-yl]-4-N-[1-(4H-pyridin-4-id-3-yl)-1,2,4-triazol-3-yl]benzene-1,4-diamine;platinum(2+).

Molecular Properties

• Compound Name: 1-N,1-N-diethyl-4-N-[2-(4H-pyridin-4-id-3-yl)tetrazol-5-yl]-4-N-[1-(4H-pyridin-4-id-3-yl)-1,2,4-triazol-3-yl]benzene-1,4-diamine;platinum(2+)
• PubChem CID: 59661236
• Molecular Formula: C23H21N11Pt
• Molecular Weight: 646.58 g/mol
• Exact Mass: 646.16
• IUPAC Name: 1-N,1-N-diethyl-4-N-[2-(4H-pyridin-4-id-3-yl)tetrazol-5-yl]-4-N-[1-(4H-pyridin-4-id-3-yl)-1,2,4-triazol-3-yl]benzene-1,4-diamine;platinum(2+)
• SMILES: CCN(CC)c1ccc(N(c2ncn(-c3[c-]ccnc3)n2)c2nnn(-c3[c-]ccnc3)n2)cc1.[Pt+2]
• InChI: InChI=1S/C23H21N11.Pt/c1-3-31(4-2)18-9-11-19(12-10-18)33(22-26-17-32(28-22)20-7-5-13-24-15-20)23-27-30-34(29-23)21-8-6-14-25-16-21;/h5-6,9-17H,3-4H2,1-2H3;/q-2;+2
• InChIKey: QRLCHYGMVUXNBE-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 106.57 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	646.58
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-[2-(4H-pyridin-4-id-3-yl)tetrazol-5-yl]-4-N-[1-(4H-pyridin-4-id-3-yl)-1,2,4-triazol-3-yl]benzene-1,4-diamine;platinum(2+)?

The IUPAC name of 1-N,1-N-diethyl-4-N-[2-(4H-pyridin-4-id-3-yl)tetrazol-5-yl]-4-N-[1-(4H-pyridin-4-id-3-yl)-1,2,4-triazol-3-yl]benzene-1,4-diamine;platinum(2+) (CID 59661236) is 1-N,1-N-diethyl-4-N-[2-(4H-pyridin-4-id-3-yl)tetrazol-5-yl]-4-N-[1-(4H-pyridin-4-id-3-yl)-1,2,4-triazol-3-yl]benzene-1,4-diamine;platinum(2+).

What is the SMILES notation for 1-N,1-N-diethyl-4-N-[2-(4H-pyridin-4-id-3-yl)tetrazol-5-yl]-4-N-[1-(4H-pyridin-4-id-3-yl)-1,2,4-triazol-3-yl]benzene-1,4-diamine;platinum(2+)?

The canonical SMILES for 1-N,1-N-diethyl-4-N-[2-(4H-pyridin-4-id-3-yl)tetrazol-5-yl]-4-N-[1-(4H-pyridin-4-id-3-yl)-1,2,4-triazol-3-yl]benzene-1,4-diamine;platinum(2+) is CCN(CC)c1ccc(N(c2ncn(-c3[c-]ccnc3)n2)c2nnn(-c3[c-]ccnc3)n2)cc1.[Pt+2].

What is the InChIKey of 1-N,1-N-diethyl-4-N-[2-(4H-pyridin-4-id-3-yl)tetrazol-5-yl]-4-N-[1-(4H-pyridin-4-id-3-yl)-1,2,4-triazol-3-yl]benzene-1,4-diamine;platinum(2+)?

The InChIKey is QRLCHYGMVUXNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N11.Pt/c1-3-31(4-2)18-9-11-19(12-10-18)33(22-26-17-32(28-22)20-7-5-13-24-15-20)23-27-30-34(29-23)21-8-6-14-25-16-21;/h5-6,9-17H,3-4H2,1-2H3;/q-2;+2.

What are the key properties of 1-N,1-N-diethyl-4-N-[2-(4H-pyridin-4-id-3-yl)tetrazol-5-yl]-4-N-[1-(4H-pyridin-4-id-3-yl)-1,2,4-triazol-3-yl]benzene-1,4-diamine;platinum(2+)?

1-N,1-N-diethyl-4-N-[2-(4H-pyridin-4-id-3-yl)tetrazol-5-yl]-4-N-[1-(4H-pyridin-4-id-3-yl)-1,2,4-triazol-3-yl]benzene-1,4-diamine;platinum(2+) has a molecular weight of 646.58 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N,1-N-diethyl-4-N-[2-(4H-pyridin-4-id-3-yl)tetrazol-5-yl]-4-N-[1-(4H-pyridin-4-id-3-yl)-1,2,4-triazol-3-yl]benzene-1,4-diamine;platinum(2+) is sourced from PubChem (CID 59661236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).