5-methyl-2-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C13H15N7O2 — CID 86286168

IUPAC5-methyl-2-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(Cc3nc(C4CCOC4)n[nH]3)nc2n1
InChIInChI=1S/C13H15N7O2/c1-7-4-11(21)20-13(14-7)16-10(19-20)5-9-15-12(18-17-9)8-2-3-22-6-8/h4,8H,2-3,5-6H2,1H3,(H,14,16,19)(H,15,17,18)
InChIKeyWHWIAVAEGBJPDS-UHFFFAOYSA-N
MW301.31 g/mol
LogP-0.06
Rot. Bonds3

About 5-methyl-2-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-methyl-2-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 86286168) has the molecular formula C13H15N7O2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 5-methyl-2-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID86286168
Molecular FormulaC13H15N7O2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name5-methyl-2-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(Cc3nc(C4CCOC4)n[nH]3)nc2n1
InChIInChI=1S/C13H15N7O2/c1-7-4-11(21)20-13(14-7)16-10(19-20)5-9-15-12(18-17-9)8-2-3-22-6-8/h4,8H,2-3,5-6H2,1H3,(H,14,16,19)(H,15,17,18)
InChIKeyWHWIAVAEGBJPDS-UHFFFAOYSA-N
XLogP-0.06
TPSA113.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-methyl-2-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one with MolForge

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Related Compounds

3-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-2H-indazole
CID 74239172
2-methyl-1-[2-[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]ethyl]indole
CID 74230614
3-[3-[(3S)-oxolan-3-yl]-1H-1,2,4-triazol-5-yl]propan-1-amine
CID 124509391
2-(3-aminopropyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114455266
5-methyl-2-[(propan-2-ylamino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114455377
5-(2-aminoethyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 115025129
5-(oxolan-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 130287536
5-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]ethyl]-1,2-oxazol-3-one
CID 74238813
2,5-diethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114514224
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 39818404
5-methyl-2-(morpholine-4-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 6501308
CID 156868790
CID 156868790

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 86286168) is 5-methyl-2-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(Cc3nc(C4CCOC4)n[nH]3)nc2n1.
What is the InChIKey of 5-methyl-2-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WHWIAVAEGBJPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O2/c1-7-4-11(21)20-13(14-7)16-10(19-20)5-9-15-12(18-17-9)8-2-3-22-6-8/h4,8H,2-3,5-6H2,1H3,(H,14,16,19)(H,15,17,18).
What are the key properties of 5-methyl-2-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-methyl-2-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 301.31 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 86286168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).