[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone

C17H18N6O — CID 164699065

About [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone

[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 164699065) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

• Compound Name: [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone
• PubChem CID: 164699065
• Molecular Formula: C17H18N6O
• Molecular Weight: 322.37 g/mol
• Exact Mass: 322.15
• IUPAC Name: [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone
• SMILES: C[C@H]1CN(C(=O)c2ccn[nH]2)Cc2nnc(Cc3ccccc3)n21
• InChI: InChI=1S/C17H18N6O/c1-12-10-22(17(24)14-7-8-18-19-14)11-16-21-20-15(23(12)16)9-13-5-3-2-4-6-13/h2-8,12H,9-11H2,1H3,(H,18,19)/t12-/m0/s1
• InChIKey: SQMOGUXSUWXCQU-LBPRGKRZSA-N
• XLogP: 1.81
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.37
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone (CID 164699065) is [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone.

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

The canonical SMILES for [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone is C[C@H]1CN(C(=O)c2ccn[nH]2)Cc2nnc(Cc3ccccc3)n21.

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

The InChIKey is SQMOGUXSUWXCQU-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18N6O/c1-12-10-22(17(24)14-7-8-18-19-14)11-16-21-20-15(23(12)16)9-13-5-3-2-4-6-13/h2-8,12H,9-11H2,1H3,(H,18,19)/t12-/m0/s1.

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

[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 322.37 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 164699065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).