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

C18H20N6O — CID 53193643

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

(3-phenyl-1H-pyrazol-5-yl)-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 53193643) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is (3-phenyl-1H-pyrazol-5-yl)-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

• Compound Name: (3-phenyl-1H-pyrazol-5-yl)-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
• PubChem CID: 53193643
• Molecular Formula: C18H20N6O
• Molecular Weight: 336.40 g/mol
• Exact Mass: 336.17
• IUPAC Name: (3-phenyl-1H-pyrazol-5-yl)-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
• SMILES: CC(C)c1nnc2n1CCN(C(=O)c1cc(-c3ccccc3)n[nH]1)C2
• InChI: InChI=1S/C18H20N6O/c1-12(2)17-22-21-16-11-23(8-9-24(16)17)18(25)15-10-14(19-20-15)13-6-4-3-5-7-13/h3-7,10,12H,8-9,11H2,1-2H3,(H,19,20)
• InChIKey: ORLFNFMCLCIYLR-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.40
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3-phenyl-1H-pyrazol-5-yl)-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 53193643) is (3-phenyl-1H-pyrazol-5-yl)-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

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

The canonical SMILES for (3-phenyl-1H-pyrazol-5-yl)-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is CC(C)c1nnc2n1CCN(C(=O)c1cc(-c3ccccc3)n[nH]1)C2.

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

The InChIKey is ORLFNFMCLCIYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-12(2)17-22-21-16-11-23(8-9-24(16)17)18(25)15-10-14(19-20-15)13-6-4-3-5-7-13/h3-7,10,12H,8-9,11H2,1-2H3,(H,19,20).

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

(3-phenyl-1H-pyrazol-5-yl)-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 336.40 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3-phenyl-1H-pyrazol-5-yl)-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 53193643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).