2,5-dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine

C19H23N5O — CID 127043639

About 2,5-dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine

2,5-dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine (PubChem CID 127043639) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2,5-dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

• Compound Name: 2,5-dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine
• PubChem CID: 127043639
• Molecular Formula: C19H23N5O
• Molecular Weight: 337.43 g/mol
• Exact Mass: 337.19
• IUPAC Name: 2,5-dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine
• SMILES: Cc1ccc(OC2CCN(c3nc(C)nn4ccc(C)c34)CC2)cn1
• InChI: InChI=1S/C19H23N5O/c1-13-6-11-24-18(13)19(21-15(3)22-24)23-9-7-16(8-10-23)25-17-5-4-14(2)20-12-17/h4-6,11-12,16H,7-10H2,1-3H3
• InChIKey: SSWAOPDRKJRQLC-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 55.55 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.43
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine?

The IUPAC name of 2,5-dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine (CID 127043639) is 2,5-dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine.

What is the SMILES notation for 2,5-dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine?

The canonical SMILES for 2,5-dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine is Cc1ccc(OC2CCN(c3nc(C)nn4ccc(C)c34)CC2)cn1.

What is the InChIKey of 2,5-dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine?

The InChIKey is SSWAOPDRKJRQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-13-6-11-24-18(13)19(21-15(3)22-24)23-9-7-16(8-10-23)25-17-5-4-14(2)20-12-17/h4-6,11-12,16H,7-10H2,1-3H3.

What are the key properties of 2,5-dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine?

2,5-dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 337.43 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 127043639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).