5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanol

C7H11N3O — CID 66489697

IUPAC5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanol
SMILESOCc1nnc2n1CCCC2
InChIInChI=1S/C7H11N3O/c11-5-7-9-8-6-3-1-2-4-10(6)7/h11H,1-5H2
InChIKeyNWGCJPPWQVPERJ-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.11
Rot. Bonds1

About 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanol

5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanol (PubChem CID 66489697) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanol.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanol
PubChem CID66489697
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanol
SMILESOCc1nnc2n1CCCC2
InChIInChI=1S/C7H11N3O/c11-5-7-9-8-6-3-1-2-4-10(6)7/h11H,1-5H2
InChIKeyNWGCJPPWQVPERJ-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 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanol?
The IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanol (CID 66489697) is 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanol.
What is the SMILES notation for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanol?
The canonical SMILES for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanol is OCc1nnc2n1CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanol?
The InChIKey is NWGCJPPWQVPERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c11-5-7-9-8-6-3-1-2-4-10(6)7/h11H,1-5H2.
What are the key properties of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanol?
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-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 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanol is sourced from PubChem (CID 66489697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).