5-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]-3-phenyl-1,2,4-oxadiazole

C16H14N8O — CID 138020060

IUPAC5-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCn1nnc2c(N3CC(c4nc(-c5ccccc5)no4)C3)ncnc21
InChIInChI=1S/C16H14N8O/c1-23-14-12(20-22-23)15(18-9-17-14)24-7-11(8-24)16-19-13(21-25-16)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChIKeyGNKSPNDWSAEXBL-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.41
Rot. Bonds3

About 5-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]-3-phenyl-1,2,4-oxadiazole

5-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 138020060) has the molecular formula C16H14N8O and a molecular weight of 334.34 g/mol. Its IUPAC name is 5-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]-3-phenyl-1,2,4-oxadiazole
PubChem CID138020060
Molecular FormulaC16H14N8O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name5-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCn1nnc2c(N3CC(c4nc(-c5ccccc5)no4)C3)ncnc21
InChIInChI=1S/C16H14N8O/c1-23-14-12(20-22-23)15(18-9-17-14)24-7-11(8-24)16-19-13(21-25-16)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChIKeyGNKSPNDWSAEXBL-UHFFFAOYSA-N
XLogP1.41
TPSA98.65 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]-3-phenyl-1,2,4-oxadiazole with MolForge

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Related Compounds

2-ethyl-7-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine
CID 70778356
3-phenyl-5-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 133299375
2-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 124730881
4-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carbaldehyde
CID 7424110
5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 56896959
5-[(3S)-1-[3-(4-methylphenoxy)propyl]pyrrolidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 95829977
2-(6-methyl-3-pyridinyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 138024658
5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 133299384
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone
CID 90557462
1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethenamine
CID 154661036
3-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 167821576
2-methyl-5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile
CID 39835355

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]-3-phenyl-1,2,4-oxadiazole (CID 138020060) is 5-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]-3-phenyl-1,2,4-oxadiazole is Cn1nnc2c(N3CC(c4nc(-c5ccccc5)no4)C3)ncnc21.
What is the InChIKey of 5-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is GNKSPNDWSAEXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N8O/c1-23-14-12(20-22-23)15(18-9-17-14)24-7-11(8-24)16-19-13(21-25-16)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3.
What are the key properties of 5-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]-3-phenyl-1,2,4-oxadiazole?
5-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 334.34 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 138020060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).