6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydroxy-4-methylphenyl)methanone

C13H14N4O2 — CID 63586995

About 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydroxy-4-methylphenyl)methanone

6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydroxy-4-methylphenyl)methanone (PubChem CID 63586995) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydroxy-4-methylphenyl)methanone.

Molecular Properties

• Compound Name: 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydroxy-4-methylphenyl)methanone
• PubChem CID: 63586995
• Molecular Formula: C13H14N4O2
• Molecular Weight: 258.28 g/mol
• Exact Mass: 258.11
• IUPAC Name: 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydroxy-4-methylphenyl)methanone
• SMILES: Cc1ccc(C(=O)N2CCn3cnnc3C2)c(O)c1
• InChI: InChI=1S/C13H14N4O2/c1-9-2-3-10(11(18)6-9)13(19)16-4-5-17-8-14-15-12(17)7-16/h2-3,6,8,18H,4-5,7H2,1H3
• InChIKey: VILAMNUXLQGKOI-UHFFFAOYSA-N
• XLogP: 0.95
• TPSA: 71.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	258.28
LogP ≤ 5	0.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydroxy-4-methylphenyl)methanone?

The IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydroxy-4-methylphenyl)methanone (CID 63586995) is 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydroxy-4-methylphenyl)methanone.

What is the SMILES notation for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydroxy-4-methylphenyl)methanone?

The canonical SMILES for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydroxy-4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCn3cnnc3C2)c(O)c1.

What is the InChIKey of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydroxy-4-methylphenyl)methanone?

The InChIKey is VILAMNUXLQGKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-9-2-3-10(11(18)6-9)13(19)16-4-5-17-8-14-15-12(17)7-16/h2-3,6,8,18H,4-5,7H2,1H3.

What are the key properties of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydroxy-4-methylphenyl)methanone?

6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydroxy-4-methylphenyl)methanone has a molecular weight of 258.28 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydroxy-4-methylphenyl)methanone is sourced from PubChem (CID 63586995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).