3-[4-[4-(hydroxymethyl)imidazol-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one

C14H14N4O2 — CID 14099426

IUPAC3-[4-[4-(hydroxymethyl)imidazol-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2ccc(-n3cnc(CO)c3)cc2)=NN1
InChIInChI=1S/C14H14N4O2/c19-8-11-7-18(9-15-11)12-3-1-10(2-4-12)13-5-6-14(20)17-16-13/h1-4,7,9,19H,5-6,8H2,(H,17,20)
InChIKeyBCKUYFGVMIQCMI-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.98
Rot. Bonds3

About 3-[4-[4-(hydroxymethyl)imidazol-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one

3-[4-[4-(hydroxymethyl)imidazol-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 14099426) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-[4-[4-(hydroxymethyl)imidazol-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-[4-(hydroxymethyl)imidazol-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID14099426
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name3-[4-[4-(hydroxymethyl)imidazol-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2ccc(-n3cnc(CO)c3)cc2)=NN1
InChIInChI=1S/C14H14N4O2/c19-8-11-7-18(9-15-11)12-3-1-10(2-4-12)13-5-6-14(20)17-16-13/h1-4,7,9,19H,5-6,8H2,(H,17,20)
InChIKeyBCKUYFGVMIQCMI-UHFFFAOYSA-N
XLogP0.98
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(hydroxymethyl)imidazol-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-[4-(hydroxymethyl)imidazol-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 14099426) is 3-[4-[4-(hydroxymethyl)imidazol-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-[4-(hydroxymethyl)imidazol-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-[4-(hydroxymethyl)imidazol-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(c2ccc(-n3cnc(CO)c3)cc2)=NN1.
What is the InChIKey of 3-[4-[4-(hydroxymethyl)imidazol-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is BCKUYFGVMIQCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c19-8-11-7-18(9-15-11)12-3-1-10(2-4-12)13-5-6-14(20)17-16-13/h1-4,7,9,19H,5-6,8H2,(H,17,20).
What are the key properties of 3-[4-[4-(hydroxymethyl)imidazol-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[4-[4-(hydroxymethyl)imidazol-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 270.29 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(hydroxymethyl)imidazol-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 14099426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).