4-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-methyl-2-thiophen-3-yl-1,3-oxazole

C14H15N5OS — CID 86796826

About 4-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-methyl-2-thiophen-3-yl-1,3-oxazole

4-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-methyl-2-thiophen-3-yl-1,3-oxazole (PubChem CID 86796826) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 4-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-methyl-2-thiophen-3-yl-1,3-oxazole.

Molecular Properties

• Compound Name: 4-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-methyl-2-thiophen-3-yl-1,3-oxazole
• PubChem CID: 86796826
• Molecular Formula: C14H15N5OS
• Molecular Weight: 301.38 g/mol
• Exact Mass: 301.10
• IUPAC Name: 4-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-methyl-2-thiophen-3-yl-1,3-oxazole
• SMILES: Cc1oc(-c2ccsc2)nc1CN1CCn2ncnc2C1
• InChI: InChI=1S/C14H15N5OS/c1-10-12(17-14(20-10)11-2-5-21-8-11)6-18-3-4-19-13(7-18)15-9-16-19/h2,5,8-9H,3-4,6-7H2,1H3
• InChIKey: MZVNAYRTNJSYAO-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 59.98 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	301.38
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-methyl-2-thiophen-3-yl-1,3-oxazole?

The IUPAC name of 4-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-methyl-2-thiophen-3-yl-1,3-oxazole (CID 86796826) is 4-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-methyl-2-thiophen-3-yl-1,3-oxazole.

What is the SMILES notation for 4-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-methyl-2-thiophen-3-yl-1,3-oxazole?

The canonical SMILES for 4-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-methyl-2-thiophen-3-yl-1,3-oxazole is Cc1oc(-c2ccsc2)nc1CN1CCn2ncnc2C1.

What is the InChIKey of 4-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-methyl-2-thiophen-3-yl-1,3-oxazole?

The InChIKey is MZVNAYRTNJSYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-10-12(17-14(20-10)11-2-5-21-8-11)6-18-3-4-19-13(7-18)15-9-16-19/h2,5,8-9H,3-4,6-7H2,1H3.

What are the key properties of 4-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-methyl-2-thiophen-3-yl-1,3-oxazole?

4-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-methyl-2-thiophen-3-yl-1,3-oxazole has a molecular weight of 301.38 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-methyl-2-thiophen-3-yl-1,3-oxazole is sourced from PubChem (CID 86796826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).