3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol

C8H10N4O — CID 15578993

IUPAC3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol
SMILESOCCCc1cnc2ncnn2c1
InChIInChI=1S/C8H10N4O/c13-3-1-2-7-4-9-8-10-6-11-12(8)5-7/h4-6,13H,1-3H2
InChIKeyIQKLNRWUTAAYQD-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.05
Rot. Bonds3

About 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol

3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol (PubChem CID 15578993) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol.

Molecular Properties

Compound Name3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol
PubChem CID15578993
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol
SMILESOCCCc1cnc2ncnn2c1
InChIInChI=1S/C8H10N4O/c13-3-1-2-7-4-9-8-10-6-11-12(8)5-7/h4-6,13H,1-3H2
InChIKeyIQKLNRWUTAAYQD-UHFFFAOYSA-N
XLogP0.05
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol?
The IUPAC name of 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol (CID 15578993) is 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol.
What is the SMILES notation for 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol?
The canonical SMILES for 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol is OCCCc1cnc2ncnn2c1.
What is the InChIKey of 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol?
The InChIKey is IQKLNRWUTAAYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c13-3-1-2-7-4-9-8-10-6-11-12(8)5-7/h4-6,13H,1-3H2.
What are the key properties of 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol?
3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol has a molecular weight of 178.19 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol is sourced from PubChem (CID 15578993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).