4-methyl-3-(2-pyridin-2-yl-1H-indol-5-yl)-1H-1,2,4-triazol-5-one;4-methyl-3-(2-pyridin-3-yl-1H-indol-5-yl)-1H-1,2,4-triazol-5-one

C32H26N10O2 — CID 159419235

About 4-methyl-3-(2-pyridin-2-yl-1H-indol-5-yl)-1H-1,2,4-triazol-5-one;4-methyl-3-(2-pyridin-3-yl-1H-indol-5-yl)-1H-1,2,4-triazol-5-one

4-methyl-3-(2-pyridin-2-yl-1H-indol-5-yl)-1H-1,2,4-triazol-5-one;4-methyl-3-(2-pyridin-3-yl-1H-indol-5-yl)-1H-1,2,4-triazol-5-one (PubChem CID 159419235) has the molecular formula C32H26N10O2 and a molecular weight of 582.63 g/mol. Its IUPAC name is 4-methyl-3-(2-pyridin-2-yl-1H-indol-5-yl)-1H-1,2,4-triazol-5-one;4-methyl-3-(2-pyridin-3-yl-1H-indol-5-yl)-1H-1,2,4-triazol-5-one.

Molecular Properties

• Compound Name: 4-methyl-3-(2-pyridin-2-yl-1H-indol-5-yl)-1H-1,2,4-triazol-5-one;4-methyl-3-(2-pyridin-3-yl-1H-indol-5-yl)-1H-1,2,4-triazol-5-one
• PubChem CID: 159419235
• Molecular Formula: C32H26N10O2
• Molecular Weight: 582.63 g/mol
• Exact Mass: 582.22
• IUPAC Name: 4-methyl-3-(2-pyridin-2-yl-1H-indol-5-yl)-1H-1,2,4-triazol-5-one;4-methyl-3-(2-pyridin-3-yl-1H-indol-5-yl)-1H-1,2,4-triazol-5-one
• SMILES: Cn1c(-c2ccc3[nH]c(-c4ccccn4)cc3c2)n[nH]c1=O.Cn1c(-c2ccc3[nH]c(-c4cccnc4)cc3c2)n[nH]c1=O
• InChI: InChI=1S/2C16H13N5O/c1-21-15(19-20-16(21)22)10-4-5-13-12(7-10)8-14(18-13)11-3-2-6-17-9-11;1-21-15(19-20-16(21)22)10-5-6-12-11(8-10)9-14(18-12)13-4-2-3-7-17-13/h2*2-9,18H,1H3,(H,20,22)
• InChIKey: LPNZJZRSRADMJN-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 158.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.63
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-pyridin-2-yl-1H-indol-5-yl)-1H-1,2,4-triazol-5-one;4-methyl-3-(2-pyridin-3-yl-1H-indol-5-yl)-1H-1,2,4-triazol-5-one?

The IUPAC name of 4-methyl-3-(2-pyridin-2-yl-1H-indol-5-yl)-1H-1,2,4-triazol-5-one;4-methyl-3-(2-pyridin-3-yl-1H-indol-5-yl)-1H-1,2,4-triazol-5-one (CID 159419235) is 4-methyl-3-(2-pyridin-2-yl-1H-indol-5-yl)-1H-1,2,4-triazol-5-one;4-methyl-3-(2-pyridin-3-yl-1H-indol-5-yl)-1H-1,2,4-triazol-5-one.

What is the SMILES notation for 4-methyl-3-(2-pyridin-2-yl-1H-indol-5-yl)-1H-1,2,4-triazol-5-one;4-methyl-3-(2-pyridin-3-yl-1H-indol-5-yl)-1H-1,2,4-triazol-5-one?

The canonical SMILES for 4-methyl-3-(2-pyridin-2-yl-1H-indol-5-yl)-1H-1,2,4-triazol-5-one;4-methyl-3-(2-pyridin-3-yl-1H-indol-5-yl)-1H-1,2,4-triazol-5-one is Cn1c(-c2ccc3[nH]c(-c4ccccn4)cc3c2)n[nH]c1=O.Cn1c(-c2ccc3[nH]c(-c4cccnc4)cc3c2)n[nH]c1=O.

What is the InChIKey of 4-methyl-3-(2-pyridin-2-yl-1H-indol-5-yl)-1H-1,2,4-triazol-5-one;4-methyl-3-(2-pyridin-3-yl-1H-indol-5-yl)-1H-1,2,4-triazol-5-one?

The InChIKey is LPNZJZRSRADMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H13N5O/c1-21-15(19-20-16(21)22)10-4-5-13-12(7-10)8-14(18-13)11-3-2-6-17-9-11;1-21-15(19-20-16(21)22)10-5-6-12-11(8-10)9-14(18-12)13-4-2-3-7-17-13/h2*2-9,18H,1H3,(H,20,22).

What are the key properties of 4-methyl-3-(2-pyridin-2-yl-1H-indol-5-yl)-1H-1,2,4-triazol-5-one;4-methyl-3-(2-pyridin-3-yl-1H-indol-5-yl)-1H-1,2,4-triazol-5-one?

4-methyl-3-(2-pyridin-2-yl-1H-indol-5-yl)-1H-1,2,4-triazol-5-one;4-methyl-3-(2-pyridin-3-yl-1H-indol-5-yl)-1H-1,2,4-triazol-5-one has a molecular weight of 582.63 g/mol, XLogP of 4.64, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-3-(2-pyridin-2-yl-1H-indol-5-yl)-1H-1,2,4-triazol-5-one;4-methyl-3-(2-pyridin-3-yl-1H-indol-5-yl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 159419235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).