2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]-6-(1H-pyrazol-5-yl)pyridazin-3-one

C19H16N6O — CID 68507479

IUPAC2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]-6-(1H-pyrazol-5-yl)pyridazin-3-one
SMILESCc1cnc(-c2cccc(Cn3nc(-c4ccn[nH]4)ccc3=O)c2)nc1
InChIInChI=1S/C19H16N6O/c1-13-10-20-19(21-11-13)15-4-2-3-14(9-15)12-25-18(26)6-5-17(24-25)16-7-8-22-23-16/h2-11H,12H2,1H3,(H,22,23)
InChIKeyRKISJRXJHUQUFW-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.45
Rot. Bonds4

About 2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]-6-(1H-pyrazol-5-yl)pyridazin-3-one

2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]-6-(1H-pyrazol-5-yl)pyridazin-3-one (PubChem CID 68507479) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]-6-(1H-pyrazol-5-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]-6-(1H-pyrazol-5-yl)pyridazin-3-one
PubChem CID68507479
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]-6-(1H-pyrazol-5-yl)pyridazin-3-one
SMILESCc1cnc(-c2cccc(Cn3nc(-c4ccn[nH]4)ccc3=O)c2)nc1
InChIInChI=1S/C19H16N6O/c1-13-10-20-19(21-11-13)15-4-2-3-14(9-15)12-25-18(26)6-5-17(24-25)16-7-8-22-23-16/h2-11H,12H2,1H3,(H,22,23)
InChIKeyRKISJRXJHUQUFW-UHFFFAOYSA-N
XLogP2.45
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]-6-(1H-pyrazol-5-yl)pyridazin-3-one?
The IUPAC name of 2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]-6-(1H-pyrazol-5-yl)pyridazin-3-one (CID 68507479) is 2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]-6-(1H-pyrazol-5-yl)pyridazin-3-one.
What is the SMILES notation for 2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]-6-(1H-pyrazol-5-yl)pyridazin-3-one?
The canonical SMILES for 2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]-6-(1H-pyrazol-5-yl)pyridazin-3-one is Cc1cnc(-c2cccc(Cn3nc(-c4ccn[nH]4)ccc3=O)c2)nc1.
What is the InChIKey of 2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]-6-(1H-pyrazol-5-yl)pyridazin-3-one?
The InChIKey is RKISJRXJHUQUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c1-13-10-20-19(21-11-13)15-4-2-3-14(9-15)12-25-18(26)6-5-17(24-25)16-7-8-22-23-16/h2-11H,12H2,1H3,(H,22,23).
What are the key properties of 2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]-6-(1H-pyrazol-5-yl)pyridazin-3-one?
2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]-6-(1H-pyrazol-5-yl)pyridazin-3-one has a molecular weight of 344.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]-6-(1H-pyrazol-5-yl)pyridazin-3-one is sourced from PubChem (CID 68507479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).