1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(1H-indol-4-yloxy)propan-2-ol

C19H23N5O2 — CID 167875689

About 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(1H-indol-4-yloxy)propan-2-ol

1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(1H-indol-4-yloxy)propan-2-ol (PubChem CID 167875689) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(1H-indol-4-yloxy)propan-2-ol.

Molecular Properties

• Compound Name: 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(1H-indol-4-yloxy)propan-2-ol
• PubChem CID: 167875689
• Molecular Formula: C19H23N5O2
• Molecular Weight: 353.43 g/mol
• Exact Mass: 353.19
• IUPAC Name: 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(1H-indol-4-yloxy)propan-2-ol
• SMILES: OC(COc1cccc2[nH]ccc12)CN1CCn2c(nnc2C2CC2)C1
• InChI: InChI=1S/C19H23N5O2/c25-14(12-26-17-3-1-2-16-15(17)6-7-20-16)10-23-8-9-24-18(11-23)21-22-19(24)13-4-5-13/h1-3,6-7,13-14,20,25H,4-5,8-12H2
• InChIKey: MAVWDHAXEHLPRB-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 79.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.43
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(1H-indol-4-yloxy)propan-2-ol?

The IUPAC name of 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(1H-indol-4-yloxy)propan-2-ol (CID 167875689) is 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(1H-indol-4-yloxy)propan-2-ol.

What is the SMILES notation for 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(1H-indol-4-yloxy)propan-2-ol?

The canonical SMILES for 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(1H-indol-4-yloxy)propan-2-ol is OC(COc1cccc2[nH]ccc12)CN1CCn2c(nnc2C2CC2)C1.

What is the InChIKey of 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(1H-indol-4-yloxy)propan-2-ol?

The InChIKey is MAVWDHAXEHLPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-14(12-26-17-3-1-2-16-15(17)6-7-20-16)10-23-8-9-24-18(11-23)21-22-19(24)13-4-5-13/h1-3,6-7,13-14,20,25H,4-5,8-12H2.

What are the key properties of 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(1H-indol-4-yloxy)propan-2-ol?

1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(1H-indol-4-yloxy)propan-2-ol has a molecular weight of 353.43 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(1H-indol-4-yloxy)propan-2-ol is sourced from PubChem (CID 167875689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).