2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-1-ol

C11H15N3O — CID 116989551

IUPAC2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-1-ol
SMILESCCC(CO)c1nc2cccc(C)n2n1
InChIInChI=1S/C11H15N3O/c1-3-9(7-15)11-12-10-6-4-5-8(2)14(10)13-11/h4-6,9,15H,3,7H2,1-2H3
InChIKeyKUHQPJDXJLNETF-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.52
Rot. Bonds3

About 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-1-ol

2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-1-ol (PubChem CID 116989551) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-1-ol.

Molecular Properties

Compound Name2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-1-ol
PubChem CID116989551
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-1-ol
SMILESCCC(CO)c1nc2cccc(C)n2n1
InChIInChI=1S/C11H15N3O/c1-3-9(7-15)11-12-10-6-4-5-8(2)14(10)13-11/h4-6,9,15H,3,7H2,1-2H3
InChIKeyKUHQPJDXJLNETF-UHFFFAOYSA-N
XLogP1.52
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-1-ol?
The IUPAC name of 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-1-ol (CID 116989551) is 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-1-ol.
What is the SMILES notation for 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-1-ol?
The canonical SMILES for 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-1-ol is CCC(CO)c1nc2cccc(C)n2n1.
What is the InChIKey of 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-1-ol?
The InChIKey is KUHQPJDXJLNETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-3-9(7-15)11-12-10-6-4-5-8(2)14(10)13-11/h4-6,9,15H,3,7H2,1-2H3.
What are the key properties of 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-1-ol?
2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butan-1-ol has a molecular weight of 205.26 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 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)butan-1-ol is sourced from PubChem (CID 116989551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).