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

C22H25N5O2 — CID 172665901

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

[4-[2-hydroxyethyl(methyl)amino]phenyl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 172665901) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is [4-[2-hydroxyethyl(methyl)amino]phenyl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

• Compound Name: [4-[2-hydroxyethyl(methyl)amino]phenyl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
• PubChem CID: 172665901
• Molecular Formula: C22H25N5O2
• Molecular Weight: 391.48 g/mol
• Exact Mass: 391.20
• IUPAC Name: [4-[2-hydroxyethyl(methyl)amino]phenyl]-[(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)c1ccc(N(C)CCO)cc1
• InChI: InChI=1S/C22H25N5O2/c1-16-21-23-20(17-6-4-3-5-7-17)24-27(21)13-12-26(16)22(29)18-8-10-19(11-9-18)25(2)14-15-28/h3-11,16,28H,12-15H2,1-2H3/t16-/m0/s1
• InChIKey: HROWMXQKJIAKLF-INIZCTEOSA-N
• XLogP: 2.59
• TPSA: 74.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.48
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [4-[2-hydroxyethyl(methyl)amino]phenyl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone (CID 172665901) is [4-[2-hydroxyethyl(methyl)amino]phenyl]-[(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 [4-[2-hydroxyethyl(methyl)amino]phenyl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?

The canonical SMILES for [4-[2-hydroxyethyl(methyl)amino]phenyl]-[(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)c1ccc(N(C)CCO)cc1.

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

The InChIKey is HROWMXQKJIAKLF-INIZCTEOSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16-21-23-20(17-6-4-3-5-7-17)24-27(21)13-12-26(16)22(29)18-8-10-19(11-9-18)25(2)14-15-28/h3-11,16,28H,12-15H2,1-2H3/t16-/m0/s1.

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

[4-[2-hydroxyethyl(methyl)amino]phenyl]-[(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 391.48 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-hydroxyethyl(methyl)amino]phenyl]-[(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 172665901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).