5-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-oxa-5-azabicyclo[2.2.1]heptane

C10H11N5O — CID 58514436

IUPAC5-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESc1cc(N2CC3CC2CO3)n2ncnc2n1
InChIInChI=1S/C10H11N5O/c1-2-11-10-12-6-13-15(10)9(1)14-4-8-3-7(14)5-16-8/h1-2,6-8H,3-5H2
InChIKeyPCKVFFBXQJMWEU-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.10
Rot. Bonds1

About 5-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-oxa-5-azabicyclo[2.2.1]heptane

5-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 58514436) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 5-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID58514436
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name5-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESc1cc(N2CC3CC2CO3)n2ncnc2n1
InChIInChI=1S/C10H11N5O/c1-2-11-10-12-6-13-15(10)9(1)14-4-8-3-7(14)5-16-8/h1-2,6-8H,3-5H2
InChIKeyPCKVFFBXQJMWEU-UHFFFAOYSA-N
XLogP0.10
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 5-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-oxa-5-azabicyclo[2.2.1]heptane (CID 58514436) is 5-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 5-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 5-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-oxa-5-azabicyclo[2.2.1]heptane is c1cc(N2CC3CC2CO3)n2ncnc2n1.
What is the InChIKey of 5-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is PCKVFFBXQJMWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-2-11-10-12-6-13-15(10)9(1)14-4-8-3-7(14)5-16-8/h1-2,6-8H,3-5H2.
What are the key properties of 5-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
5-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 217.23 g/mol, XLogP of 0.10, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 58514436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).