2-amino-1-(2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanol

C12H18N4O — CID 83896171

IUPAC2-amino-1-(2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanol
SMILESCC(C)(C)c1nc2ccc(C(O)CN)cn2n1
InChIInChI=1S/C12H18N4O/c1-12(2,3)11-14-10-5-4-8(9(17)6-13)7-16(10)15-11/h4-5,7,9,17H,6,13H2,1-3H3
InChIKeyLPVHEBDDOPNJNH-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.02
Rot. Bonds2

About 2-amino-1-(2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanol

2-amino-1-(2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanol (PubChem CID 83896171) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-amino-1-(2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanol
PubChem CID83896171
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-amino-1-(2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanol
SMILESCC(C)(C)c1nc2ccc(C(O)CN)cn2n1
InChIInChI=1S/C12H18N4O/c1-12(2,3)11-14-10-5-4-8(9(17)6-13)7-16(10)15-11/h4-5,7,9,17H,6,13H2,1-3H3
InChIKeyLPVHEBDDOPNJNH-UHFFFAOYSA-N
XLogP1.02
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanol?
The IUPAC name of 2-amino-1-(2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanol (CID 83896171) is 2-amino-1-(2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanol.
What is the SMILES notation for 2-amino-1-(2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanol?
The canonical SMILES for 2-amino-1-(2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanol is CC(C)(C)c1nc2ccc(C(O)CN)cn2n1.
What is the InChIKey of 2-amino-1-(2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanol?
The InChIKey is LPVHEBDDOPNJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-12(2,3)11-14-10-5-4-8(9(17)6-13)7-16(10)15-11/h4-5,7,9,17H,6,13H2,1-3H3.
What are the key properties of 2-amino-1-(2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanol?
2-amino-1-(2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanol has a molecular weight of 234.30 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethanol is sourced from PubChem (CID 83896171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).