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

C13H22N4O — CID 117156443

IUPAC2-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol
SMILESCC(C)N1CCC(c2nc3n(n2)CCC(O)C3)C1
InChIInChI=1S/C13H22N4O/c1-9(2)16-5-3-10(8-16)13-14-12-7-11(18)4-6-17(12)15-13/h9-11,18H,3-8H2,1-2H3
InChIKeyHDMMMAPHIUTLAS-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.78
Rot. Bonds2

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

2-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol (PubChem CID 117156443) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol.

Molecular Properties

Compound Name2-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol
PubChem CID117156443
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol
SMILESCC(C)N1CCC(c2nc3n(n2)CCC(O)C3)C1
InChIInChI=1S/C13H22N4O/c1-9(2)16-5-3-10(8-16)13-14-12-7-11(18)4-6-17(12)15-13/h9-11,18H,3-8H2,1-2H3
InChIKeyHDMMMAPHIUTLAS-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol?
The IUPAC name of 2-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol (CID 117156443) is 2-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol.
What is the SMILES notation for 2-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol?
The canonical SMILES for 2-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol is CC(C)N1CCC(c2nc3n(n2)CCC(O)C3)C1.
What is the InChIKey of 2-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol?
The InChIKey is HDMMMAPHIUTLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)16-5-3-10(8-16)13-14-12-7-11(18)4-6-17(12)15-13/h9-11,18H,3-8H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol?
2-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol has a molecular weight of 250.35 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol is sourced from PubChem (CID 117156443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).