methanol;tris(2-pyrazol-1-yl-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine);terbium(3+)

C30H30N21O3Tb — CID 139166863

About methanol;tris(2-pyrazol-1-yl-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine);terbium(3+)

methanol;tris(2-pyrazol-1-yl-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine);terbium(3+) (PubChem CID 139166863) has the molecular formula C30H30N21O3Tb and a molecular weight of 891.64 g/mol. Its IUPAC name is methanol;tris(2-pyrazol-1-yl-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine);terbium(3+).

Molecular Properties

• Compound Name: methanol;tris(2-pyrazol-1-yl-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine);terbium(3+)
• PubChem CID: 139166863
• Molecular Formula: C30H30N21O3Tb
• Molecular Weight: 891.64 g/mol
• Exact Mass: 891.21
• IUPAC Name: methanol;tris(2-pyrazol-1-yl-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine);terbium(3+)
• SMILES: CO.CO.CO.[Tb+3].c1cc(-c2nnn[n-]2)nc(-n2cccn2)c1.c1cc(-c2nnn[n-]2)nc(-n2cccn2)c1.c1cc(-c2nnn[n-]2)nc(-n2cccn2)c1
• InChI: InChI=1S/3C9H6N7.3CH4O.Tb/c3*1-3-7(9-12-14-15-13-9)11-8(4-1)16-6-2-5-10-16;3*1-2;/h3*1-6H;3*2H,1H3;/q3*-1;;;;+3
• InChIKey: WRBLCJOQWVNAOH-UHFFFAOYSA-N
• XLogP: -0.94
• TPSA: 311.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	891.64
LogP ≤ 5	-0.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of methanol;tris(2-pyrazol-1-yl-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine);terbium(3+)?

The IUPAC name of methanol;tris(2-pyrazol-1-yl-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine);terbium(3+) (CID 139166863) is methanol;tris(2-pyrazol-1-yl-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine);terbium(3+).

What is the SMILES notation for methanol;tris(2-pyrazol-1-yl-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine);terbium(3+)?

The canonical SMILES for methanol;tris(2-pyrazol-1-yl-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine);terbium(3+) is CO.CO.CO.[Tb+3].c1cc(-c2nnn[n-]2)nc(-n2cccn2)c1.c1cc(-c2nnn[n-]2)nc(-n2cccn2)c1.c1cc(-c2nnn[n-]2)nc(-n2cccn2)c1.

What is the InChIKey of methanol;tris(2-pyrazol-1-yl-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine);terbium(3+)?

The InChIKey is WRBLCJOQWVNAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H6N7.3CH4O.Tb/c3*1-3-7(9-12-14-15-13-9)11-8(4-1)16-6-2-5-10-16;3*1-2;/h3*1-6H;3*2H,1H3;/q3*-1;;;;+3.

What are the key properties of methanol;tris(2-pyrazol-1-yl-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine);terbium(3+)?

methanol;tris(2-pyrazol-1-yl-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine);terbium(3+) has a molecular weight of 891.64 g/mol, XLogP of -0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for methanol;tris(2-pyrazol-1-yl-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine);terbium(3+) is sourced from PubChem (CID 139166863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).