3-[(E)-1-pyrimidin-5-ylprop-1-enyl]pyridazine

C11H10N4 — CID 170223892

IUPAC3-[(E)-1-pyrimidin-5-ylprop-1-enyl]pyridazine
SMILESC/C=C(\c1cncnc1)c1cccnn1
InChIInChI=1S/C11H10N4/c1-2-10(9-6-12-8-13-7-9)11-4-3-5-14-15-11/h2-8H,1H3/b10-2+
InChIKeyVPWZVCOHMNUYHL-WTDSWWLTSA-N
MW198.23 g/mol
LogP1.72
Rot. Bonds2

About 3-[(E)-1-pyrimidin-5-ylprop-1-enyl]pyridazine

3-[(E)-1-pyrimidin-5-ylprop-1-enyl]pyridazine (PubChem CID 170223892) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 3-[(E)-1-pyrimidin-5-ylprop-1-enyl]pyridazine.

Molecular Properties

Compound Name3-[(E)-1-pyrimidin-5-ylprop-1-enyl]pyridazine
PubChem CID170223892
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name3-[(E)-1-pyrimidin-5-ylprop-1-enyl]pyridazine
SMILESC/C=C(\c1cncnc1)c1cccnn1
InChIInChI=1S/C11H10N4/c1-2-10(9-6-12-8-13-7-9)11-4-3-5-14-15-11/h2-8H,1H3/b10-2+
InChIKeyVPWZVCOHMNUYHL-WTDSWWLTSA-N
XLogP1.72
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1-pyrimidin-5-ylprop-1-enyl]pyridazine?
The IUPAC name of 3-[(E)-1-pyrimidin-5-ylprop-1-enyl]pyridazine (CID 170223892) is 3-[(E)-1-pyrimidin-5-ylprop-1-enyl]pyridazine.
What is the SMILES notation for 3-[(E)-1-pyrimidin-5-ylprop-1-enyl]pyridazine?
The canonical SMILES for 3-[(E)-1-pyrimidin-5-ylprop-1-enyl]pyridazine is C/C=C(\c1cncnc1)c1cccnn1.
What is the InChIKey of 3-[(E)-1-pyrimidin-5-ylprop-1-enyl]pyridazine?
The InChIKey is VPWZVCOHMNUYHL-WTDSWWLTSA-N. The full InChI is InChI=1S/C11H10N4/c1-2-10(9-6-12-8-13-7-9)11-4-3-5-14-15-11/h2-8H,1H3/b10-2+.
What are the key properties of 3-[(E)-1-pyrimidin-5-ylprop-1-enyl]pyridazine?
3-[(E)-1-pyrimidin-5-ylprop-1-enyl]pyridazine has a molecular weight of 198.23 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1-pyrimidin-5-ylprop-1-enyl]pyridazine is sourced from PubChem (CID 170223892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).