2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol

C14H21N5O — CID 106621453

About 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol

2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol (PubChem CID 106621453) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol.

Molecular Properties

• Compound Name: 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
• PubChem CID: 106621453
• Molecular Formula: C14H21N5O
• Molecular Weight: 275.36 g/mol
• Exact Mass: 275.17
• IUPAC Name: 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
• SMILES: Cc1cccc2nc(N(CCO)CC3CCCN3)nn12
• InChI: InChI=1S/C14H21N5O/c1-11-4-2-6-13-16-14(17-19(11)13)18(8-9-20)10-12-5-3-7-15-12/h2,4,6,12,15,20H,3,5,7-10H2,1H3
• InChIKey: KPFBGRDBJHIECU-UHFFFAOYSA-N
• XLogP: 0.59
• TPSA: 65.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	275.36
LogP ≤ 5	0.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol?

The IUPAC name of 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol (CID 106621453) is 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol.

What is the SMILES notation for 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol?

The canonical SMILES for 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol is Cc1cccc2nc(N(CCO)CC3CCCN3)nn12.

What is the InChIKey of 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol?

The InChIKey is KPFBGRDBJHIECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-11-4-2-6-13-16-14(17-19(11)13)18(8-9-20)10-12-5-3-7-15-12/h2,4,6,12,15,20H,3,5,7-10H2,1H3.

What are the key properties of 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol?

2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol has a molecular weight of 275.36 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 106621453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).