2-thiophen-3-yl-6H-pyrimido[4,5-d]pyridazin-5-one

C10H6N4OS — CID 175947397

IUPAC2-thiophen-3-yl-6H-pyrimido[4,5-d]pyridazin-5-one
SMILESO=c1[nH]ncc2nc(-c3ccsc3)ncc12
InChIInChI=1S/C10H6N4OS/c15-10-7-3-11-9(6-1-2-16-5-6)13-8(7)4-12-14-10/h1-5H,(H,14,15)
InChIKeyCYLPAVRQJICSFR-UHFFFAOYSA-N
MW230.25 g/mol
LogP1.44
Rot. Bonds1

About 2-thiophen-3-yl-6H-pyrimido[4,5-d]pyridazin-5-one

2-thiophen-3-yl-6H-pyrimido[4,5-d]pyridazin-5-one (PubChem CID 175947397) has the molecular formula C10H6N4OS and a molecular weight of 230.25 g/mol. Its IUPAC name is 2-thiophen-3-yl-6H-pyrimido[4,5-d]pyridazin-5-one.

Molecular Properties

Compound Name2-thiophen-3-yl-6H-pyrimido[4,5-d]pyridazin-5-one
PubChem CID175947397
Molecular FormulaC10H6N4OS
Molecular Weight230.25 g/mol
Exact Mass230.03
IUPAC Name2-thiophen-3-yl-6H-pyrimido[4,5-d]pyridazin-5-one
SMILESO=c1[nH]ncc2nc(-c3ccsc3)ncc12
InChIInChI=1S/C10H6N4OS/c15-10-7-3-11-9(6-1-2-16-5-6)13-8(7)4-12-14-10/h1-5H,(H,14,15)
InChIKeyCYLPAVRQJICSFR-UHFFFAOYSA-N
XLogP1.44
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-6H-pyrimido[4,5-d]pyridazin-5-one?
The IUPAC name of 2-thiophen-3-yl-6H-pyrimido[4,5-d]pyridazin-5-one (CID 175947397) is 2-thiophen-3-yl-6H-pyrimido[4,5-d]pyridazin-5-one.
What is the SMILES notation for 2-thiophen-3-yl-6H-pyrimido[4,5-d]pyridazin-5-one?
The canonical SMILES for 2-thiophen-3-yl-6H-pyrimido[4,5-d]pyridazin-5-one is O=c1[nH]ncc2nc(-c3ccsc3)ncc12.
What is the InChIKey of 2-thiophen-3-yl-6H-pyrimido[4,5-d]pyridazin-5-one?
The InChIKey is CYLPAVRQJICSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4OS/c15-10-7-3-11-9(6-1-2-16-5-6)13-8(7)4-12-14-10/h1-5H,(H,14,15).
What are the key properties of 2-thiophen-3-yl-6H-pyrimido[4,5-d]pyridazin-5-one?
2-thiophen-3-yl-6H-pyrimido[4,5-d]pyridazin-5-one has a molecular weight of 230.25 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-6H-pyrimido[4,5-d]pyridazin-5-one is sourced from PubChem (CID 175947397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).