N-[4-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide

C13H15N3O3 — CID 3024445

IUPACN-[4-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=NNC(=O)CC2CO)cc1
InChIInChI=1S/C13H15N3O3/c1-8(18)14-11-4-2-9(3-5-11)13-10(7-17)6-12(19)15-16-13/h2-5,10,17H,6-7H2,1H3,(H,14,18)(H,15,19)
InChIKeyNXGRIOJOPMGCMA-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.48
Rot. Bonds3

About N-[4-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide

N-[4-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide (PubChem CID 3024445) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[4-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide
PubChem CID3024445
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-[4-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=NNC(=O)CC2CO)cc1
InChIInChI=1S/C13H15N3O3/c1-8(18)14-11-4-2-9(3-5-11)13-10(7-17)6-12(19)15-16-13/h2-5,10,17H,6-7H2,1H3,(H,14,18)(H,15,19)
InChIKeyNXGRIOJOPMGCMA-UHFFFAOYSA-N
XLogP0.48
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide (CID 3024445) is N-[4-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2=NNC(=O)CC2CO)cc1.
What is the InChIKey of N-[4-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide?
The InChIKey is NXGRIOJOPMGCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8(18)14-11-4-2-9(3-5-11)13-10(7-17)6-12(19)15-16-13/h2-5,10,17H,6-7H2,1H3,(H,14,18)(H,15,19).
What are the key properties of N-[4-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide?
N-[4-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide has a molecular weight of 261.28 g/mol, XLogP of 0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide is sourced from PubChem (CID 3024445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).