4-cyclobutyl-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile

C13H11N5O2 — CID 148886865

IUPAC4-cyclobutyl-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile
SMILESN#Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CCC1
InChIInChI=1S/C13H11N5O2/c14-5-11-8(7-2-1-3-7)4-10(17-18-11)9-6-15-13(20)16-12(9)19/h4,6-7H,1-3H2,(H2,15,16,19,20)
InChIKeyPEDKKDYKGITBAV-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.66
Rot. Bonds2

About 4-cyclobutyl-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile

4-cyclobutyl-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile (PubChem CID 148886865) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-cyclobutyl-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile.

Molecular Properties

Compound Name4-cyclobutyl-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile
PubChem CID148886865
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name4-cyclobutyl-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile
SMILESN#Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CCC1
InChIInChI=1S/C13H11N5O2/c14-5-11-8(7-2-1-3-7)4-10(17-18-11)9-6-15-13(20)16-12(9)19/h4,6-7H,1-3H2,(H2,15,16,19,20)
InChIKeyPEDKKDYKGITBAV-UHFFFAOYSA-N
XLogP0.66
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile?
The IUPAC name of 4-cyclobutyl-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile (CID 148886865) is 4-cyclobutyl-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile.
What is the SMILES notation for 4-cyclobutyl-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile?
The canonical SMILES for 4-cyclobutyl-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile is N#Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CCC1.
What is the InChIKey of 4-cyclobutyl-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile?
The InChIKey is PEDKKDYKGITBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c14-5-11-8(7-2-1-3-7)4-10(17-18-11)9-6-15-13(20)16-12(9)19/h4,6-7H,1-3H2,(H2,15,16,19,20).
What are the key properties of 4-cyclobutyl-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile?
4-cyclobutyl-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile has a molecular weight of 269.26 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile is sourced from PubChem (CID 148886865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).