4-[1-(azetidin-3-yl)triazole-4-carbonyl]-3-methylpiperazin-2-one

C11H16N6O2 — CID 79316226

IUPAC4-[1-(azetidin-3-yl)triazole-4-carbonyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C11H16N6O2/c1-7-10(18)13-2-3-16(7)11(19)9-6-17(15-14-9)8-4-12-5-8/h6-8,12H,2-5H2,1H3,(H,13,18)
InChIKeyNTQAPVONZNLJMW-UHFFFAOYSA-N
MW264.29 g/mol
LogP-1.62
Rot. Bonds2

About 4-[1-(azetidin-3-yl)triazole-4-carbonyl]-3-methylpiperazin-2-one

4-[1-(azetidin-3-yl)triazole-4-carbonyl]-3-methylpiperazin-2-one (PubChem CID 79316226) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 4-[1-(azetidin-3-yl)triazole-4-carbonyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[1-(azetidin-3-yl)triazole-4-carbonyl]-3-methylpiperazin-2-one
PubChem CID79316226
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name4-[1-(azetidin-3-yl)triazole-4-carbonyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C11H16N6O2/c1-7-10(18)13-2-3-16(7)11(19)9-6-17(15-14-9)8-4-12-5-8/h6-8,12H,2-5H2,1H3,(H,13,18)
InChIKeyNTQAPVONZNLJMW-UHFFFAOYSA-N
XLogP-1.62
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(azetidin-3-yl)triazole-4-carbonyl]-3-methylpiperazin-2-one?
The IUPAC name of 4-[1-(azetidin-3-yl)triazole-4-carbonyl]-3-methylpiperazin-2-one (CID 79316226) is 4-[1-(azetidin-3-yl)triazole-4-carbonyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[1-(azetidin-3-yl)triazole-4-carbonyl]-3-methylpiperazin-2-one?
The canonical SMILES for 4-[1-(azetidin-3-yl)triazole-4-carbonyl]-3-methylpiperazin-2-one is CC1C(=O)NCCN1C(=O)c1cn(C2CNC2)nn1.
What is the InChIKey of 4-[1-(azetidin-3-yl)triazole-4-carbonyl]-3-methylpiperazin-2-one?
The InChIKey is NTQAPVONZNLJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-7-10(18)13-2-3-16(7)11(19)9-6-17(15-14-9)8-4-12-5-8/h6-8,12H,2-5H2,1H3,(H,13,18).
What are the key properties of 4-[1-(azetidin-3-yl)triazole-4-carbonyl]-3-methylpiperazin-2-one?
4-[1-(azetidin-3-yl)triazole-4-carbonyl]-3-methylpiperazin-2-one has a molecular weight of 264.29 g/mol, XLogP of -1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(azetidin-3-yl)triazole-4-carbonyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 79316226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).