3,3-dimethyl-1-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]azetidin-2-one

C16H15N5O — CID 3714506

IUPAC3,3-dimethyl-1-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]azetidin-2-one
SMILESCC1(C)CN(c2cccc(-c3ccnc4ncnn34)c2)C1=O
InChIInChI=1S/C16H15N5O/c1-16(2)9-20(14(16)22)12-5-3-4-11(8-12)13-6-7-17-15-18-10-19-21(13)15/h3-8,10H,9H2,1-2H3
InChIKeyXEEBPCARQQCJMX-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.16
Rot. Bonds2

About 3,3-dimethyl-1-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]azetidin-2-one

3,3-dimethyl-1-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]azetidin-2-one (PubChem CID 3714506) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 3,3-dimethyl-1-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]azetidin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]azetidin-2-one
PubChem CID3714506
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name3,3-dimethyl-1-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]azetidin-2-one
SMILESCC1(C)CN(c2cccc(-c3ccnc4ncnn34)c2)C1=O
InChIInChI=1S/C16H15N5O/c1-16(2)9-20(14(16)22)12-5-3-4-11(8-12)13-6-7-17-15-18-10-19-21(13)15/h3-8,10H,9H2,1-2H3
InChIKeyXEEBPCARQQCJMX-UHFFFAOYSA-N
XLogP2.16
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]azetidin-2-one?
The IUPAC name of 3,3-dimethyl-1-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]azetidin-2-one (CID 3714506) is 3,3-dimethyl-1-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]azetidin-2-one.
What is the SMILES notation for 3,3-dimethyl-1-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]azetidin-2-one?
The canonical SMILES for 3,3-dimethyl-1-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]azetidin-2-one is CC1(C)CN(c2cccc(-c3ccnc4ncnn34)c2)C1=O.
What is the InChIKey of 3,3-dimethyl-1-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]azetidin-2-one?
The InChIKey is XEEBPCARQQCJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-16(2)9-20(14(16)22)12-5-3-4-11(8-12)13-6-7-17-15-18-10-19-21(13)15/h3-8,10H,9H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]azetidin-2-one?
3,3-dimethyl-1-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]azetidin-2-one has a molecular weight of 293.33 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]azetidin-2-one is sourced from PubChem (CID 3714506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).