2-[methyl-[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]ethanol

C17H19N7O — CID 46183527

About 2-[methyl-[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]ethanol

2-[methyl-[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]ethanol (PubChem CID 46183527) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is 2-[methyl-[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]ethanol.

Molecular Properties

• Compound Name: 2-[methyl-[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]ethanol
• PubChem CID: 46183527
• Molecular Formula: C17H19N7O
• Molecular Weight: 337.39 g/mol
• Exact Mass: 337.17
• IUPAC Name: 2-[methyl-[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]ethanol
• SMILES: Cc1[nH]nc2cc(Nc3nc4cccc(N(C)CCO)n4n3)ccc12
• InChI: InChI=1S/C17H19N7O/c1-11-13-7-6-12(10-14(13)21-20-11)18-17-19-15-4-3-5-16(24(15)22-17)23(2)8-9-25/h3-7,10,25H,8-9H2,1-2H3,(H,18,22)(H,20,21)
• InChIKey: ROXYEBDRRDNJOS-UHFFFAOYSA-N
• XLogP: 2.09
• TPSA: 94.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.39
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]ethanol?

The IUPAC name of 2-[methyl-[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]ethanol (CID 46183527) is 2-[methyl-[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]ethanol.

What is the SMILES notation for 2-[methyl-[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]ethanol?

The canonical SMILES for 2-[methyl-[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]ethanol is Cc1[nH]nc2cc(Nc3nc4cccc(N(C)CCO)n4n3)ccc12.

What is the InChIKey of 2-[methyl-[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]ethanol?

The InChIKey is ROXYEBDRRDNJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c1-11-13-7-6-12(10-14(13)21-20-11)18-17-19-15-4-3-5-16(24(15)22-17)23(2)8-9-25/h3-7,10,25H,8-9H2,1-2H3,(H,18,22)(H,20,21).

What are the key properties of 2-[methyl-[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]ethanol?

2-[methyl-[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]ethanol has a molecular weight of 337.39 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl-[2-[(3-methyl-2H-indazol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]ethanol is sourced from PubChem (CID 46183527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).