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

C18H30N8 — CID 134224563

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

6-methyl-7-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 134224563) has the molecular formula C18H30N8 and a molecular weight of 358.49 g/mol. Its IUPAC name is 6-methyl-7-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

• Compound Name: 6-methyl-7-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine
• PubChem CID: 134224563
• Molecular Formula: C18H30N8
• Molecular Weight: 358.49 g/mol
• Exact Mass: 358.26
• IUPAC Name: 6-methyl-7-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine
• SMILES: CC(C)c1nnc2n1CN(C)C(CC(C)c1nnc3n1CCN(C)C3)C2
• InChI: InChI=1S/C18H30N8/c1-12(2)17-21-19-15-9-14(24(5)11-26(15)17)8-13(3)18-22-20-16-10-23(4)6-7-25(16)18/h12-14H,6-11H2,1-5H3
• InChIKey: IXSYWWNWNVRYLP-UHFFFAOYSA-N
• XLogP: 1.45
• TPSA: 67.90 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.49
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-methyl-7-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine (CID 134224563) is 6-methyl-7-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine.

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

The canonical SMILES for 6-methyl-7-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine is CC(C)c1nnc2n1CN(C)C(CC(C)c1nnc3n1CCN(C)C3)C2.

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

The InChIKey is IXSYWWNWNVRYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N8/c1-12(2)17-21-19-15-9-14(24(5)11-26(15)17)8-13(3)18-22-20-16-10-23(4)6-7-25(16)18/h12-14H,6-11H2,1-5H3.

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

6-methyl-7-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 358.49 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-7-[2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propyl]-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 134224563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).