2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone

C19H23N5O — CID 96500568

About 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone

2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 96500568) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
• PubChem CID: 96500568
• Molecular Formula: C19H23N5O
• Molecular Weight: 337.43 g/mol
• Exact Mass: 337.19
• IUPAC Name: 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
• SMILES: C[C@@H]1Cc2ccccc2N1C(=O)CN1CCn2c(nnc2C2CC2)C1
• InChI: InChI=1S/C19H23N5O/c1-13-10-15-4-2-3-5-16(15)24(13)18(25)12-22-8-9-23-17(11-22)20-21-19(23)14-6-7-14/h2-5,13-14H,6-12H2,1H3/t13-/m1/s1
• InChIKey: URKAKQCCBWWALT-CYBMUJFWSA-N
• XLogP: 1.95
• TPSA: 54.26 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.43
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?

The IUPAC name of 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone (CID 96500568) is 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone.

What is the SMILES notation for 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?

The canonical SMILES for 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone is C[C@@H]1Cc2ccccc2N1C(=O)CN1CCn2c(nnc2C2CC2)C1.

What is the InChIKey of 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?

The InChIKey is URKAKQCCBWWALT-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23N5O/c1-13-10-15-4-2-3-5-16(15)24(13)18(25)12-22-8-9-23-17(11-22)20-21-19(23)14-6-7-14/h2-5,13-14H,6-12H2,1H3/t13-/m1/s1.

What are the key properties of 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?

2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 337.43 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 96500568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).