VTKXSTRQRGPTCY-UHFFFAOYSA-N

Name: VTKXSTRQRGPTCY-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₅N₃O₂ — CID 15107819

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-[4-(2-aminoethoxy)-3-methylphenyl]-1H-pyridazin-6-one

SMILESCc1cc(-c2ccc(=O)[nH]n2)ccc1OCCN

InChIInChI=1S/C13H15N3O2/c1-9-8-10(2-4-12(9)18-7-6-14)11-3-5-13(17)16-15-11/h2-5,8H,6-7,14H2,1H3,(H,16,17)

InChIKeyVTKXSTRQRGPTCY-UHFFFAOYSA-N

MW245.28 g/mol

LogP1.08

Rot. Bonds4

About VTKXSTRQRGPTCY-UHFFFAOYSA-N

VTKXSTRQRGPTCY-UHFFFAOYSA-N (PubChem CID 15107819) has the molecular formula C₁₃H₁₅N₃O₂ and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-[4-(2-aminoethoxy)-3-methylphenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name	VTKXSTRQRGPTCY-UHFFFAOYSA-N
PubChem CID	15107819
Molecular Formula	C₁₃H₁₅N₃O₂
Molecular Weight	245.28 g/mol
Exact Mass	245.12
IUPAC Name	3-[4-(2-aminoethoxy)-3-methylphenyl]-1H-pyridazin-6-one
SMILES	Cc1cc(-c2ccc(=O)[nH]n2)ccc1OCCN
InChI	InChI=1S/C13H15N3O2/c1-9-8-10(2-4-12(9)18-7-6-14)11-3-5-13(17)16-15-11/h2-5,8H,6-7,14H2,1H3,(H,16,17)
InChIKey	VTKXSTRQRGPTCY-UHFFFAOYSA-N
XLogP	1.08
TPSA	81.00 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	245.28
LogP ≤ 5	1.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of VTKXSTRQRGPTCY-UHFFFAOYSA-N?

The IUPAC name of VTKXSTRQRGPTCY-UHFFFAOYSA-N (CID 15107819) is 3-[4-(2-aminoethoxy)-3-methylphenyl]-1H-pyridazin-6-one.

What is the SMILES notation for VTKXSTRQRGPTCY-UHFFFAOYSA-N?

The canonical SMILES for VTKXSTRQRGPTCY-UHFFFAOYSA-N is Cc1cc(-c2ccc(=O)[nH]n2)ccc1OCCN.

What is the InChIKey of VTKXSTRQRGPTCY-UHFFFAOYSA-N?

The InChIKey is VTKXSTRQRGPTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-8-10(2-4-12(9)18-7-6-14)11-3-5-13(17)16-15-11/h2-5,8H,6-7,14H2,1H3,(H,16,17).

What are the key properties of VTKXSTRQRGPTCY-UHFFFAOYSA-N?

VTKXSTRQRGPTCY-UHFFFAOYSA-N has a molecular weight of 245.28 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for VTKXSTRQRGPTCY-UHFFFAOYSA-N is sourced from PubChem (CID 15107819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 15107819 — identifiers, structure, computed properties (public domain)

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