2-(3-hydroxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol

C9H15N3O2 — CID 117156389

IUPAC2-(3-hydroxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol
SMILESOCCCc1nc2n(n1)CCC(O)C2
InChIInChI=1S/C9H15N3O2/c13-5-1-2-8-10-9-6-7(14)3-4-12(9)11-8/h7,13-14H,1-6H2
InChIKeyYPJIYWCCKUNVND-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.49
Rot. Bonds3

About 2-(3-hydroxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol

2-(3-hydroxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol (PubChem CID 117156389) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol
PubChem CID117156389
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(3-hydroxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol
SMILESOCCCc1nc2n(n1)CCC(O)C2
InChIInChI=1S/C9H15N3O2/c13-5-1-2-8-10-9-6-7(14)3-4-12(9)11-8/h7,13-14H,1-6H2
InChIKeyYPJIYWCCKUNVND-UHFFFAOYSA-N
XLogP-0.49
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol?
The IUPAC name of 2-(3-hydroxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol (CID 117156389) is 2-(3-hydroxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol.
What is the SMILES notation for 2-(3-hydroxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol?
The canonical SMILES for 2-(3-hydroxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol is OCCCc1nc2n(n1)CCC(O)C2.
What is the InChIKey of 2-(3-hydroxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol?
The InChIKey is YPJIYWCCKUNVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c13-5-1-2-8-10-9-6-7(14)3-4-12(9)11-8/h7,13-14H,1-6H2.
What are the key properties of 2-(3-hydroxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol?
2-(3-hydroxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol has a molecular weight of 197.24 g/mol, XLogP of -0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol is sourced from PubChem (CID 117156389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).