4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-ylmethanol

C7H11N3O — CID 84649779

IUPAC4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-ylmethanol
SMILESOCc1nnn2c1CCCC2
InChIInChI=1S/C7H11N3O/c11-5-6-7-3-1-2-4-10(7)9-8-6/h11H,1-5H2
InChIKeyXOBXSZMVFDYRBL-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.11
Rot. Bonds1

About 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-ylmethanol

4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-ylmethanol (PubChem CID 84649779) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-ylmethanol.

Molecular Properties

Compound Name4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-ylmethanol
PubChem CID84649779
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-ylmethanol
SMILESOCc1nnn2c1CCCC2
InChIInChI=1S/C7H11N3O/c11-5-6-7-3-1-2-4-10(7)9-8-6/h11H,1-5H2
InChIKeyXOBXSZMVFDYRBL-UHFFFAOYSA-N
XLogP0.11
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-ylmethanol?
The IUPAC name of 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-ylmethanol (CID 84649779) is 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-ylmethanol.
What is the SMILES notation for 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-ylmethanol?
The canonical SMILES for 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-ylmethanol is OCc1nnn2c1CCCC2.
What is the InChIKey of 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-ylmethanol?
The InChIKey is XOBXSZMVFDYRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c11-5-6-7-3-1-2-4-10(7)9-8-6/h11H,1-5H2.
What are the key properties of 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-ylmethanol?
4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-ylmethanol has a molecular weight of 153.19 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-3-ylmethanol is sourced from PubChem (CID 84649779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).