7-acetyl-3-pyridin-3-yl-1,4,7-triazaspiro[4.4]non-3-en-2-one

C13H14N4O2 — CID 134791719

IUPAC7-acetyl-3-pyridin-3-yl-1,4,7-triazaspiro[4.4]non-3-en-2-one
SMILESCC(=O)N1CCC2(C1)N=C(c1cccnc1)C(=O)N2
InChIInChI=1S/C13H14N4O2/c1-9(18)17-6-4-13(8-17)15-11(12(19)16-13)10-3-2-5-14-7-10/h2-3,5,7H,4,6,8H2,1H3,(H,16,19)
InChIKeyZXQUCXXRAFPUNY-UHFFFAOYSA-N
MW258.28 g/mol
LogP-0.05
Rot. Bonds1

About 7-acetyl-3-pyridin-3-yl-1,4,7-triazaspiro[4.4]non-3-en-2-one

7-acetyl-3-pyridin-3-yl-1,4,7-triazaspiro[4.4]non-3-en-2-one (PubChem CID 134791719) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 7-acetyl-3-pyridin-3-yl-1,4,7-triazaspiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name7-acetyl-3-pyridin-3-yl-1,4,7-triazaspiro[4.4]non-3-en-2-one
PubChem CID134791719
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name7-acetyl-3-pyridin-3-yl-1,4,7-triazaspiro[4.4]non-3-en-2-one
SMILESCC(=O)N1CCC2(C1)N=C(c1cccnc1)C(=O)N2
InChIInChI=1S/C13H14N4O2/c1-9(18)17-6-4-13(8-17)15-11(12(19)16-13)10-3-2-5-14-7-10/h2-3,5,7H,4,6,8H2,1H3,(H,16,19)
InChIKeyZXQUCXXRAFPUNY-UHFFFAOYSA-N
XLogP-0.05
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-acetyl-3-pyridin-3-yl-1,4,7-triazaspiro[4.4]non-3-en-2-one?
The IUPAC name of 7-acetyl-3-pyridin-3-yl-1,4,7-triazaspiro[4.4]non-3-en-2-one (CID 134791719) is 7-acetyl-3-pyridin-3-yl-1,4,7-triazaspiro[4.4]non-3-en-2-one.
What is the SMILES notation for 7-acetyl-3-pyridin-3-yl-1,4,7-triazaspiro[4.4]non-3-en-2-one?
The canonical SMILES for 7-acetyl-3-pyridin-3-yl-1,4,7-triazaspiro[4.4]non-3-en-2-one is CC(=O)N1CCC2(C1)N=C(c1cccnc1)C(=O)N2.
What is the InChIKey of 7-acetyl-3-pyridin-3-yl-1,4,7-triazaspiro[4.4]non-3-en-2-one?
The InChIKey is ZXQUCXXRAFPUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-9(18)17-6-4-13(8-17)15-11(12(19)16-13)10-3-2-5-14-7-10/h2-3,5,7H,4,6,8H2,1H3,(H,16,19).
What are the key properties of 7-acetyl-3-pyridin-3-yl-1,4,7-triazaspiro[4.4]non-3-en-2-one?
7-acetyl-3-pyridin-3-yl-1,4,7-triazaspiro[4.4]non-3-en-2-one has a molecular weight of 258.28 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-3-pyridin-3-yl-1,4,7-triazaspiro[4.4]non-3-en-2-one is sourced from PubChem (CID 134791719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).