3-methoxy-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propan-1-ol

C11H16N4O2 — CID 106192575

IUPAC3-methoxy-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propan-1-ol
SMILESCOCC(CO)Nc1nc2cccc(C)n2n1
InChIInChI=1S/C11H16N4O2/c1-8-4-3-5-10-13-11(14-15(8)10)12-9(6-16)7-17-2/h3-5,9,16H,6-7H2,1-2H3,(H,12,14)
InChIKeyLTOABQCZCUGSQV-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.46
Rot. Bonds5

About 3-methoxy-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propan-1-ol

3-methoxy-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propan-1-ol (PubChem CID 106192575) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-methoxy-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-methoxy-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propan-1-ol
PubChem CID106192575
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name3-methoxy-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propan-1-ol
SMILESCOCC(CO)Nc1nc2cccc(C)n2n1
InChIInChI=1S/C11H16N4O2/c1-8-4-3-5-10-13-11(14-15(8)10)12-9(6-16)7-17-2/h3-5,9,16H,6-7H2,1-2H3,(H,12,14)
InChIKeyLTOABQCZCUGSQV-UHFFFAOYSA-N
XLogP0.46
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propan-1-ol?
The IUPAC name of 3-methoxy-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propan-1-ol (CID 106192575) is 3-methoxy-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-methoxy-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-methoxy-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propan-1-ol is COCC(CO)Nc1nc2cccc(C)n2n1.
What is the InChIKey of 3-methoxy-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propan-1-ol?
The InChIKey is LTOABQCZCUGSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8-4-3-5-10-13-11(14-15(8)10)12-9(6-16)7-17-2/h3-5,9,16H,6-7H2,1-2H3,(H,12,14).
What are the key properties of 3-methoxy-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propan-1-ol?
3-methoxy-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propan-1-ol has a molecular weight of 236.27 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propan-1-ol is sourced from PubChem (CID 106192575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).