6-[4-[4-(hydroxymethyl)imidazol-1-yl]phenyl]-2-methylpyridazin-3-one

C15H14N4O2 — CID 68510946

IUPAC6-[4-[4-(hydroxymethyl)imidazol-1-yl]phenyl]-2-methylpyridazin-3-one
SMILESCn1nc(-c2ccc(-n3cnc(CO)c3)cc2)ccc1=O
InChIInChI=1S/C15H14N4O2/c1-18-15(21)7-6-14(17-18)11-2-4-13(5-3-11)19-8-12(9-20)16-10-19/h2-8,10,20H,9H2,1H3
InChIKeyABVIIDPGCBTTNP-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.13
Rot. Bonds3

About 6-[4-[4-(hydroxymethyl)imidazol-1-yl]phenyl]-2-methylpyridazin-3-one

6-[4-[4-(hydroxymethyl)imidazol-1-yl]phenyl]-2-methylpyridazin-3-one (PubChem CID 68510946) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 6-[4-[4-(hydroxymethyl)imidazol-1-yl]phenyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-[4-(hydroxymethyl)imidazol-1-yl]phenyl]-2-methylpyridazin-3-one
PubChem CID68510946
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name6-[4-[4-(hydroxymethyl)imidazol-1-yl]phenyl]-2-methylpyridazin-3-one
SMILESCn1nc(-c2ccc(-n3cnc(CO)c3)cc2)ccc1=O
InChIInChI=1S/C15H14N4O2/c1-18-15(21)7-6-14(17-18)11-2-4-13(5-3-11)19-8-12(9-20)16-10-19/h2-8,10,20H,9H2,1H3
InChIKeyABVIIDPGCBTTNP-UHFFFAOYSA-N
XLogP1.13
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(hydroxymethyl)imidazol-1-yl]phenyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[4-[4-(hydroxymethyl)imidazol-1-yl]phenyl]-2-methylpyridazin-3-one (CID 68510946) is 6-[4-[4-(hydroxymethyl)imidazol-1-yl]phenyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[4-[4-(hydroxymethyl)imidazol-1-yl]phenyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[4-[4-(hydroxymethyl)imidazol-1-yl]phenyl]-2-methylpyridazin-3-one is Cn1nc(-c2ccc(-n3cnc(CO)c3)cc2)ccc1=O.
What is the InChIKey of 6-[4-[4-(hydroxymethyl)imidazol-1-yl]phenyl]-2-methylpyridazin-3-one?
The InChIKey is ABVIIDPGCBTTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-18-15(21)7-6-14(17-18)11-2-4-13(5-3-11)19-8-12(9-20)16-10-19/h2-8,10,20H,9H2,1H3.
What are the key properties of 6-[4-[4-(hydroxymethyl)imidazol-1-yl]phenyl]-2-methylpyridazin-3-one?
6-[4-[4-(hydroxymethyl)imidazol-1-yl]phenyl]-2-methylpyridazin-3-one has a molecular weight of 282.30 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(hydroxymethyl)imidazol-1-yl]phenyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 68510946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).