3-(8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pentan-3-ol

C15H23N3O — CID 171604141

IUPAC3-(8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pentan-3-ol
SMILESCCC(O)(CC)c1ccc(C(C)(C)C)c2ncnn12
InChIInChI=1S/C15H23N3O/c1-6-15(19,7-2)12-9-8-11(14(3,4)5)13-16-10-17-18(12)13/h8-10,19H,6-7H2,1-5H3
InChIKeyCNBBRWICQDCNRR-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.03
Rot. Bonds3

About 3-(8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pentan-3-ol

3-(8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pentan-3-ol (PubChem CID 171604141) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pentan-3-ol.

Molecular Properties

Compound Name3-(8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pentan-3-ol
PubChem CID171604141
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-(8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pentan-3-ol
SMILESCCC(O)(CC)c1ccc(C(C)(C)C)c2ncnn12
InChIInChI=1S/C15H23N3O/c1-6-15(19,7-2)12-9-8-11(14(3,4)5)13-16-10-17-18(12)13/h8-10,19H,6-7H2,1-5H3
InChIKeyCNBBRWICQDCNRR-UHFFFAOYSA-N
XLogP3.03
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pentan-3-ol?
The IUPAC name of 3-(8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pentan-3-ol (CID 171604141) is 3-(8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pentan-3-ol.
What is the SMILES notation for 3-(8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pentan-3-ol?
The canonical SMILES for 3-(8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pentan-3-ol is CCC(O)(CC)c1ccc(C(C)(C)C)c2ncnn12.
What is the InChIKey of 3-(8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pentan-3-ol?
The InChIKey is CNBBRWICQDCNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-6-15(19,7-2)12-9-8-11(14(3,4)5)13-16-10-17-18(12)13/h8-10,19H,6-7H2,1-5H3.
What are the key properties of 3-(8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pentan-3-ol?
3-(8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pentan-3-ol has a molecular weight of 261.37 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)pentan-3-ol is sourced from PubChem (CID 171604141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).