7-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C11H15N5O2 — CID 66283317

IUPAC7-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCC(C)C1(O)CN(c2cc3n[nH]c(=O)n3cn2)C1
InChIInChI=1S/C11H15N5O2/c1-7(2)11(18)4-15(5-11)8-3-9-13-14-10(17)16(9)6-12-8/h3,6-7,18H,4-5H2,1-2H3,(H,14,17)
InChIKeyNZFXODBXWCNDLO-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.38
Rot. Bonds2

About 7-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66283317) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 7-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66283317
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name7-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCC(C)C1(O)CN(c2cc3n[nH]c(=O)n3cn2)C1
InChIInChI=1S/C11H15N5O2/c1-7(2)11(18)4-15(5-11)8-3-9-13-14-10(17)16(9)6-12-8/h3,6-7,18H,4-5H2,1-2H3,(H,14,17)
InChIKeyNZFXODBXWCNDLO-UHFFFAOYSA-N
XLogP-0.38
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66283317) is 7-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CC(C)C1(O)CN(c2cc3n[nH]c(=O)n3cn2)C1.
What is the InChIKey of 7-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is NZFXODBXWCNDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-7(2)11(18)4-15(5-11)8-3-9-13-14-10(17)16(9)6-12-8/h3,6-7,18H,4-5H2,1-2H3,(H,14,17).
What are the key properties of 7-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 249.27 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66283317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).