(3R)-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methyl-N-propan-2-ylbutanamide

C19H22FN5O2 — CID 94079642

About (3R)-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methyl-N-propan-2-ylbutanamide

(3R)-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methyl-N-propan-2-ylbutanamide (PubChem CID 94079642) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is (3R)-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methyl-N-propan-2-ylbutanamide.

Molecular Properties

• Compound Name: (3R)-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methyl-N-propan-2-ylbutanamide
• PubChem CID: 94079642
• Molecular Formula: C19H22FN5O2
• Molecular Weight: 371.42 g/mol
• Exact Mass: 371.18
• IUPAC Name: (3R)-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methyl-N-propan-2-ylbutanamide
• SMILES: CC(C)NC(=O)C[C@H](C)Cc1nnc2c(=O)n(-c3cccc(F)c3)ccn12
• InChI: InChI=1S/C19H22FN5O2/c1-12(2)21-17(26)10-13(3)9-16-22-23-18-19(27)24(7-8-25(16)18)15-6-4-5-14(20)11-15/h4-8,11-13H,9-10H2,1-3H3,(H,21,26)/t13-/m1/s1
• InChIKey: QXEFHUCFOBWDDX-CYBMUJFWSA-N
• XLogP: 2.11
• TPSA: 81.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.42
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methyl-N-propan-2-ylbutanamide?

The IUPAC name of (3R)-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methyl-N-propan-2-ylbutanamide (CID 94079642) is (3R)-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methyl-N-propan-2-ylbutanamide.

What is the SMILES notation for (3R)-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methyl-N-propan-2-ylbutanamide?

The canonical SMILES for (3R)-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methyl-N-propan-2-ylbutanamide is CC(C)NC(=O)C[C@H](C)Cc1nnc2c(=O)n(-c3cccc(F)c3)ccn12.

What is the InChIKey of (3R)-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methyl-N-propan-2-ylbutanamide?

The InChIKey is QXEFHUCFOBWDDX-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-12(2)21-17(26)10-13(3)9-16-22-23-18-19(27)24(7-8-25(16)18)15-6-4-5-14(20)11-15/h4-8,11-13H,9-10H2,1-3H3,(H,21,26)/t13-/m1/s1.

What are the key properties of (3R)-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methyl-N-propan-2-ylbutanamide?

(3R)-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methyl-N-propan-2-ylbutanamide has a molecular weight of 371.42 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 94079642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).