1-(phenylmethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one

C14H13N3O2 — CID 66602762

IUPAC1-(phenylmethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one
SMILESO=c1[nH]ncc2c1ccn2COCc1ccccc1
InChIInChI=1S/C14H13N3O2/c18-14-12-6-7-17(13(12)8-15-16-14)10-19-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,16,18)
InChIKeyAUKPZJMEZBJFJW-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.90
Rot. Bonds4

About 1-(phenylmethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one

1-(phenylmethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one (PubChem CID 66602762) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-(phenylmethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name1-(phenylmethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one
PubChem CID66602762
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name1-(phenylmethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one
SMILESO=c1[nH]ncc2c1ccn2COCc1ccccc1
InChIInChI=1S/C14H13N3O2/c18-14-12-6-7-17(13(12)8-15-16-14)10-19-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,16,18)
InChIKeyAUKPZJMEZBJFJW-UHFFFAOYSA-N
XLogP1.90
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(phenylmethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one?
The IUPAC name of 1-(phenylmethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one (CID 66602762) is 1-(phenylmethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one.
What is the SMILES notation for 1-(phenylmethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one?
The canonical SMILES for 1-(phenylmethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one is O=c1[nH]ncc2c1ccn2COCc1ccccc1.
What is the InChIKey of 1-(phenylmethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one?
The InChIKey is AUKPZJMEZBJFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c18-14-12-6-7-17(13(12)8-15-16-14)10-19-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,16,18).
What are the key properties of 1-(phenylmethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one?
1-(phenylmethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one has a molecular weight of 255.28 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenylmethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one is sourced from PubChem (CID 66602762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).