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

C20H21N5O — CID 164688966

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

(1-cyclopropylpyrrol-2-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 164688966) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is (1-cyclopropylpyrrol-2-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

• Compound Name: (1-cyclopropylpyrrol-2-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
• PubChem CID: 164688966
• Molecular Formula: C20H21N5O
• Molecular Weight: 347.42 g/mol
• Exact Mass: 347.17
• IUPAC Name: (1-cyclopropylpyrrol-2-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
• SMILES: C[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)c1cccn1C1CC1
• InChI: InChI=1S/C20H21N5O/c1-14-19-21-18(15-6-3-2-4-7-15)22-25(19)13-12-23(14)20(26)17-8-5-11-24(17)16-9-10-16/h2-8,11,14,16H,9-10,12-13H2,1H3/t14-/m0/s1
• InChIKey: FPHBXVVQRKBATQ-AWEZNQCLSA-N
• XLogP: 3.30
• TPSA: 55.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.42
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (1-cyclopropylpyrrol-2-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone (CID 164688966) is (1-cyclopropylpyrrol-2-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone.

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

The canonical SMILES for (1-cyclopropylpyrrol-2-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone is C[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)c1cccn1C1CC1.

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

The InChIKey is FPHBXVVQRKBATQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14-19-21-18(15-6-3-2-4-7-15)22-25(19)13-12-23(14)20(26)17-8-5-11-24(17)16-9-10-16/h2-8,11,14,16H,9-10,12-13H2,1H3/t14-/m0/s1.

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

(1-cyclopropylpyrrol-2-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 347.42 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1-cyclopropylpyrrol-2-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 164688966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).