4-(azetidin-3-yl)-2-methyl-5-(oxolan-2-yl)-1,2,4-triazol-3-one

C10H16N4O2 — CID 121208079

IUPAC4-(azetidin-3-yl)-2-methyl-5-(oxolan-2-yl)-1,2,4-triazol-3-one
SMILESCn1nc(C2CCCO2)n(C2CNC2)c1=O
InChIInChI=1S/C10H16N4O2/c1-13-10(15)14(7-5-11-6-7)9(12-13)8-3-2-4-16-8/h7-8,11H,2-6H2,1H3
InChIKeyHCVIIPQXEHAVQH-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.42
Rot. Bonds2

About 4-(azetidin-3-yl)-2-methyl-5-(oxolan-2-yl)-1,2,4-triazol-3-one

4-(azetidin-3-yl)-2-methyl-5-(oxolan-2-yl)-1,2,4-triazol-3-one (PubChem CID 121208079) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(azetidin-3-yl)-2-methyl-5-(oxolan-2-yl)-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-(azetidin-3-yl)-2-methyl-5-(oxolan-2-yl)-1,2,4-triazol-3-one
PubChem CID121208079
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4-(azetidin-3-yl)-2-methyl-5-(oxolan-2-yl)-1,2,4-triazol-3-one
SMILESCn1nc(C2CCCO2)n(C2CNC2)c1=O
InChIInChI=1S/C10H16N4O2/c1-13-10(15)14(7-5-11-6-7)9(12-13)8-3-2-4-16-8/h7-8,11H,2-6H2,1H3
InChIKeyHCVIIPQXEHAVQH-UHFFFAOYSA-N
XLogP-0.42
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yl)-2-methyl-5-(oxolan-2-yl)-1,2,4-triazol-3-one?
The IUPAC name of 4-(azetidin-3-yl)-2-methyl-5-(oxolan-2-yl)-1,2,4-triazol-3-one (CID 121208079) is 4-(azetidin-3-yl)-2-methyl-5-(oxolan-2-yl)-1,2,4-triazol-3-one.
What is the SMILES notation for 4-(azetidin-3-yl)-2-methyl-5-(oxolan-2-yl)-1,2,4-triazol-3-one?
The canonical SMILES for 4-(azetidin-3-yl)-2-methyl-5-(oxolan-2-yl)-1,2,4-triazol-3-one is Cn1nc(C2CCCO2)n(C2CNC2)c1=O.
What is the InChIKey of 4-(azetidin-3-yl)-2-methyl-5-(oxolan-2-yl)-1,2,4-triazol-3-one?
The InChIKey is HCVIIPQXEHAVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-13-10(15)14(7-5-11-6-7)9(12-13)8-3-2-4-16-8/h7-8,11H,2-6H2,1H3.
What are the key properties of 4-(azetidin-3-yl)-2-methyl-5-(oxolan-2-yl)-1,2,4-triazol-3-one?
4-(azetidin-3-yl)-2-methyl-5-(oxolan-2-yl)-1,2,4-triazol-3-one has a molecular weight of 224.26 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yl)-2-methyl-5-(oxolan-2-yl)-1,2,4-triazol-3-one is sourced from PubChem (CID 121208079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).