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

C13H22N4O — CID 117150015

IUPAC3-(1-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol
SMILESCC(C)N1CCCC1c1nnc2n1C(O)CCC2
InChIInChI=1S/C13H22N4O/c1-9(2)16-8-4-5-10(16)13-15-14-11-6-3-7-12(18)17(11)13/h9-10,12,18H,3-8H2,1-2H3
InChIKeyYWYTXLZVHZDPTI-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.65
Rot. Bonds2

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

3-(1-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol (PubChem CID 117150015) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-(1-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol.

Molecular Properties

Compound Name3-(1-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol
PubChem CID117150015
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-(1-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol
SMILESCC(C)N1CCCC1c1nnc2n1C(O)CCC2
InChIInChI=1S/C13H22N4O/c1-9(2)16-8-4-5-10(16)13-15-14-11-6-3-7-12(18)17(11)13/h9-10,12,18H,3-8H2,1-2H3
InChIKeyYWYTXLZVHZDPTI-UHFFFAOYSA-N
XLogP1.65
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol?
The IUPAC name of 3-(1-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol (CID 117150015) is 3-(1-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol.
What is the SMILES notation for 3-(1-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol?
The canonical SMILES for 3-(1-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol is CC(C)N1CCCC1c1nnc2n1C(O)CCC2.
What is the InChIKey of 3-(1-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol?
The InChIKey is YWYTXLZVHZDPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)16-8-4-5-10(16)13-15-14-11-6-3-7-12(18)17(11)13/h9-10,12,18H,3-8H2,1-2H3.
What are the key properties of 3-(1-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol?
3-(1-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol has a molecular weight of 250.35 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol is sourced from PubChem (CID 117150015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).