2-[1-(4-cyano-5,6-diethylpyridazin-3-yl)azetidin-3-yl]propanoic acid

C15H20N4O2 — CID 116681863

IUPAC2-[1-(4-cyano-5,6-diethylpyridazin-3-yl)azetidin-3-yl]propanoic acid
SMILESCCc1nnc(N2CC(C(C)C(=O)O)C2)c(C#N)c1CC
InChIInChI=1S/C15H20N4O2/c1-4-11-12(6-16)14(18-17-13(11)5-2)19-7-10(8-19)9(3)15(20)21/h9-10H,4-5,7-8H2,1-3H3,(H,20,21)
InChIKeyMIQHIUGFRUBGMH-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.63
Rot. Bonds5

About 2-[1-(4-cyano-5,6-diethylpyridazin-3-yl)azetidin-3-yl]propanoic acid

2-[1-(4-cyano-5,6-diethylpyridazin-3-yl)azetidin-3-yl]propanoic acid (PubChem CID 116681863) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[1-(4-cyano-5,6-diethylpyridazin-3-yl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(4-cyano-5,6-diethylpyridazin-3-yl)azetidin-3-yl]propanoic acid
PubChem CID116681863
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-[1-(4-cyano-5,6-diethylpyridazin-3-yl)azetidin-3-yl]propanoic acid
SMILESCCc1nnc(N2CC(C(C)C(=O)O)C2)c(C#N)c1CC
InChIInChI=1S/C15H20N4O2/c1-4-11-12(6-16)14(18-17-13(11)5-2)19-7-10(8-19)9(3)15(20)21/h9-10H,4-5,7-8H2,1-3H3,(H,20,21)
InChIKeyMIQHIUGFRUBGMH-UHFFFAOYSA-N
XLogP1.63
TPSA90.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-cyano-5,6-diethylpyridazin-3-yl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(4-cyano-5,6-diethylpyridazin-3-yl)azetidin-3-yl]propanoic acid (CID 116681863) is 2-[1-(4-cyano-5,6-diethylpyridazin-3-yl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(4-cyano-5,6-diethylpyridazin-3-yl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(4-cyano-5,6-diethylpyridazin-3-yl)azetidin-3-yl]propanoic acid is CCc1nnc(N2CC(C(C)C(=O)O)C2)c(C#N)c1CC.
What is the InChIKey of 2-[1-(4-cyano-5,6-diethylpyridazin-3-yl)azetidin-3-yl]propanoic acid?
The InChIKey is MIQHIUGFRUBGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-11-12(6-16)14(18-17-13(11)5-2)19-7-10(8-19)9(3)15(20)21/h9-10H,4-5,7-8H2,1-3H3,(H,20,21).
What are the key properties of 2-[1-(4-cyano-5,6-diethylpyridazin-3-yl)azetidin-3-yl]propanoic acid?
2-[1-(4-cyano-5,6-diethylpyridazin-3-yl)azetidin-3-yl]propanoic acid has a molecular weight of 288.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-cyano-5,6-diethylpyridazin-3-yl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116681863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).