2-ethyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol

C12H18N4O2 — CID 114010695

About 2-ethyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol

2-ethyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol (PubChem CID 114010695) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-ethyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol.

Molecular Properties

• Compound Name: 2-ethyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol
• PubChem CID: 114010695
• Molecular Formula: C12H18N4O2
• Molecular Weight: 250.30 g/mol
• Exact Mass: 250.14
• IUPAC Name: 2-ethyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol
• SMILES: CCC(CO)(CO)Nc1nc2cc(C)ccn2n1
• InChI: InChI=1S/C12H18N4O2/c1-3-12(7-17,8-18)14-11-13-10-6-9(2)4-5-16(10)15-11/h4-6,17-18H,3,7-8H2,1-2H3,(H,14,15)
• InChIKey: IMOPZRCIKNCZIU-UHFFFAOYSA-N
• XLogP: 0.58
• TPSA: 82.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	250.30
LogP ≤ 5	0.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol?

The IUPAC name of 2-ethyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol (CID 114010695) is 2-ethyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol.

What is the SMILES notation for 2-ethyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol?

The canonical SMILES for 2-ethyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol is CCC(CO)(CO)Nc1nc2cc(C)ccn2n1.

What is the InChIKey of 2-ethyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol?

The InChIKey is IMOPZRCIKNCZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-3-12(7-17,8-18)14-11-13-10-6-9(2)4-5-16(10)15-11/h4-6,17-18H,3,7-8H2,1-2H3,(H,14,15).

What are the key properties of 2-ethyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol?

2-ethyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol has a molecular weight of 250.30 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol is sourced from PubChem (CID 114010695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).