(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone

C17H18N6O — CID 120730316

About (3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone

(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (PubChem CID 120730316) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is (3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

• Compound Name: (3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
• PubChem CID: 120730316
• Molecular Formula: C17H18N6O
• Molecular Weight: 322.37 g/mol
• Exact Mass: 322.15
• IUPAC Name: (3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
• SMILES: Cc1nnc2ccc(C(=O)N3CCNCC3c3cccnc3)cn12
• InChI: InChI=1S/C17H18N6O/c1-12-20-21-16-5-4-14(11-23(12)16)17(24)22-8-7-19-10-15(22)13-3-2-6-18-9-13/h2-6,9,11,15,19H,7-8,10H2,1H3
• InChIKey: LQBSASCTGQOCPA-UHFFFAOYSA-N
• XLogP: 1.22
• TPSA: 75.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.37
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?

The IUPAC name of (3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (CID 120730316) is (3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.

What is the SMILES notation for (3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?

The canonical SMILES for (3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is Cc1nnc2ccc(C(=O)N3CCNCC3c3cccnc3)cn12.

What is the InChIKey of (3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?

The InChIKey is LQBSASCTGQOCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-12-20-21-16-5-4-14(11-23(12)16)17(24)22-8-7-19-10-15(22)13-3-2-6-18-9-13/h2-6,9,11,15,19H,7-8,10H2,1H3.

What are the key properties of (3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?

(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone has a molecular weight of 322.37 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 120730316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).