5-(oxan-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C11H14N4O2 — CID 31044109

IUPAC5-(oxan-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CC2CCOCC2)nc2nc[nH]n12
InChIInChI=1S/C11H14N4O2/c16-10-6-9(5-8-1-3-17-4-2-8)14-11-12-7-13-15(10)11/h6-8H,1-5H2,(H,12,13,14)
InChIKeyYEBYRIOQILNLKD-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.39
Rot. Bonds2

About 5-(oxan-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-(oxan-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 31044109) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-(oxan-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(oxan-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID31044109
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name5-(oxan-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CC2CCOCC2)nc2nc[nH]n12
InChIInChI=1S/C11H14N4O2/c16-10-6-9(5-8-1-3-17-4-2-8)14-11-12-7-13-15(10)11/h6-8H,1-5H2,(H,12,13,14)
InChIKeyYEBYRIOQILNLKD-UHFFFAOYSA-N
XLogP0.39
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(oxolan-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 130287536
5-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 113282380
5-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 106672454
5-[[ethyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 60807302
5-piperidin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 105473879
5-(butylaminomethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 143995597
(5S)-7-(cyclobutylmethyl)-2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 98264452
bis(5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one);platinum(2+);dichloride
CID 10257356
5-(dimethylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 130287508
5-[[4-(methylamino)phenoxy]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 61027727
5-[[(3R)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 98289924
2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)oxy]acetic acid
CID 59476771

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(oxan-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 31044109) is 5-(oxan-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(oxan-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(oxan-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1cc(CC2CCOCC2)nc2nc[nH]n12.
What is the InChIKey of 5-(oxan-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YEBYRIOQILNLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c16-10-6-9(5-8-1-3-17-4-2-8)14-11-12-7-13-15(10)11/h6-8H,1-5H2,(H,12,13,14).
What are the key properties of 5-(oxan-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-(oxan-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 234.26 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 31044109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).