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

C19H22N6O — CID 172668549

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

[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 172668549) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is [(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

• Compound Name: [(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
• PubChem CID: 172668549
• Molecular Formula: C19H22N6O
• Molecular Weight: 350.43 g/mol
• Exact Mass: 350.19
• IUPAC Name: [(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
• SMILES: CC(C)c1cc(C(=O)N2Cc3nnc(-c4ccccc4)n3[C@@H](C)C2)n[nH]1
• InChI: InChI=1S/C19H22N6O/c1-12(2)15-9-16(21-20-15)19(26)24-10-13(3)25-17(11-24)22-23-18(25)14-7-5-4-6-8-14/h4-9,12-13H,10-11H2,1-3H3,(H,20,21)/t13-/m0/s1
• InChIKey: XTORGXMQTGRQEP-ZDUSSCGKSA-N
• XLogP: 3.01
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.43
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 172668549) is [(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

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

The canonical SMILES for [(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is CC(C)c1cc(C(=O)N2Cc3nnc(-c4ccccc4)n3[C@@H](C)C2)n[nH]1.

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

The InChIKey is XTORGXMQTGRQEP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N6O/c1-12(2)15-9-16(21-20-15)19(26)24-10-13(3)25-17(11-24)22-23-18(25)14-7-5-4-6-8-14/h4-9,12-13H,10-11H2,1-3H3,(H,20,21)/t13-/m0/s1.

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

[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 350.43 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 172668549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).