3-[[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine

C15H17N7O2 — CID 142707802

IUPAC3-[[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine
SMILESNc1ncc2nnn(Cc3cccc(COC4CCOC4)n3)c2n1
InChIInChI=1S/C15H17N7O2/c16-15-17-6-13-14(19-15)22(21-20-13)7-10-2-1-3-11(18-10)8-24-12-4-5-23-9-12/h1-3,6,12H,4-5,7-9H2,(H2,16,17,19)
InChIKeyWYKUIUAAZXQMKG-UHFFFAOYSA-N
MW327.35 g/mol
LogP0.55
Rot. Bonds5

About 3-[[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine

3-[[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 142707802) has the molecular formula C15H17N7O2 and a molecular weight of 327.35 g/mol. Its IUPAC name is 3-[[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound Name3-[[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine
PubChem CID142707802
Molecular FormulaC15H17N7O2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name3-[[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine
SMILESNc1ncc2nnn(Cc3cccc(COC4CCOC4)n3)c2n1
InChIInChI=1S/C15H17N7O2/c16-15-17-6-13-14(19-15)22(21-20-13)7-10-2-1-3-11(18-10)8-24-12-4-5-23-9-12/h1-3,6,12H,4-5,7-9H2,(H2,16,17,19)
InChIKeyWYKUIUAAZXQMKG-UHFFFAOYSA-N
XLogP0.55
TPSA113.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of 3-[[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine (CID 142707802) is 3-[[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for 3-[[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for 3-[[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine is Nc1ncc2nnn(Cc3cccc(COC4CCOC4)n3)c2n1.
What is the InChIKey of 3-[[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is WYKUIUAAZXQMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O2/c16-15-17-6-13-14(19-15)22(21-20-13)7-10-2-1-3-11(18-10)8-24-12-4-5-23-9-12/h1-3,6,12H,4-5,7-9H2,(H2,16,17,19).
What are the key properties of 3-[[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine?
3-[[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 327.35 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 142707802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).