3,6-dimethyl-8-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine

C16H26N8 — CID 134402295

About 3,6-dimethyl-8-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine

3,6-dimethyl-8-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 134402295) has the molecular formula C16H26N8 and a molecular weight of 330.44 g/mol. Its IUPAC name is 3,6-dimethyl-8-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

• Compound Name: 3,6-dimethyl-8-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine
• PubChem CID: 134402295
• Molecular Formula: C16H26N8
• Molecular Weight: 330.44 g/mol
• Exact Mass: 330.23
• IUPAC Name: 3,6-dimethyl-8-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine
• SMILES: Cc1nnc2n1CN(C)CC2CC(C)c1nnc2n1CCN(C)C2
• InChI: InChI=1S/C16H26N8/c1-11(15-19-18-14-9-21(3)5-6-23(14)15)7-13-8-22(4)10-24-12(2)17-20-16(13)24/h11,13H,5-10H2,1-4H3
• InChIKey: RIECPPVHPUXHFD-UHFFFAOYSA-N
• XLogP: 0.80
• TPSA: 67.90 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.44
LogP ≤ 5	0.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3,6-dimethyl-8-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine (CID 134402295) is 3,6-dimethyl-8-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine.

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

The canonical SMILES for 3,6-dimethyl-8-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine is Cc1nnc2n1CN(C)CC2CC(C)c1nnc2n1CCN(C)C2.

What is the InChIKey of 3,6-dimethyl-8-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine?

The InChIKey is RIECPPVHPUXHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N8/c1-11(15-19-18-14-9-21(3)5-6-23(14)15)7-13-8-22(4)10-24-12(2)17-20-16(13)24/h11,13H,5-10H2,1-4H3.

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

3,6-dimethyl-8-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 330.44 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-dimethyl-8-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 134402295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).