4-thiophen-2-yl-1,3,4,6,7,8-hexahydropyrimido[4,5-d]pyridazine-2,5-dione

C10H10N4O2S — CID 4780164

IUPAC4-thiophen-2-yl-1,3,4,6,7,8-hexahydropyrimido[4,5-d]pyridazine-2,5-dione
SMILESO=C1NC2=C(C(=O)NNC2)C(c2cccs2)N1
InChIInChI=1S/C10H10N4O2S/c15-9-7-5(4-11-14-9)12-10(16)13-8(7)6-2-1-3-17-6/h1-3,8,11H,4H2,(H,14,15)(H2,12,13,16)
InChIKeyFTTMNFDBNDAUKB-UHFFFAOYSA-N
MW250.28 g/mol
LogP-0.01
Rot. Bonds1

About 4-thiophen-2-yl-1,3,4,6,7,8-hexahydropyrimido[4,5-d]pyridazine-2,5-dione

4-thiophen-2-yl-1,3,4,6,7,8-hexahydropyrimido[4,5-d]pyridazine-2,5-dione (PubChem CID 4780164) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 4-thiophen-2-yl-1,3,4,6,7,8-hexahydropyrimido[4,5-d]pyridazine-2,5-dione.

Molecular Properties

Compound Name4-thiophen-2-yl-1,3,4,6,7,8-hexahydropyrimido[4,5-d]pyridazine-2,5-dione
PubChem CID4780164
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name4-thiophen-2-yl-1,3,4,6,7,8-hexahydropyrimido[4,5-d]pyridazine-2,5-dione
SMILESO=C1NC2=C(C(=O)NNC2)C(c2cccs2)N1
InChIInChI=1S/C10H10N4O2S/c15-9-7-5(4-11-14-9)12-10(16)13-8(7)6-2-1-3-17-6/h1-3,8,11H,4H2,(H,14,15)(H2,12,13,16)
InChIKeyFTTMNFDBNDAUKB-UHFFFAOYSA-N
XLogP-0.01
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-1,3,4,6,7,8-hexahydropyrimido[4,5-d]pyridazine-2,5-dione?
The IUPAC name of 4-thiophen-2-yl-1,3,4,6,7,8-hexahydropyrimido[4,5-d]pyridazine-2,5-dione (CID 4780164) is 4-thiophen-2-yl-1,3,4,6,7,8-hexahydropyrimido[4,5-d]pyridazine-2,5-dione.
What is the SMILES notation for 4-thiophen-2-yl-1,3,4,6,7,8-hexahydropyrimido[4,5-d]pyridazine-2,5-dione?
The canonical SMILES for 4-thiophen-2-yl-1,3,4,6,7,8-hexahydropyrimido[4,5-d]pyridazine-2,5-dione is O=C1NC2=C(C(=O)NNC2)C(c2cccs2)N1.
What is the InChIKey of 4-thiophen-2-yl-1,3,4,6,7,8-hexahydropyrimido[4,5-d]pyridazine-2,5-dione?
The InChIKey is FTTMNFDBNDAUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c15-9-7-5(4-11-14-9)12-10(16)13-8(7)6-2-1-3-17-6/h1-3,8,11H,4H2,(H,14,15)(H2,12,13,16).
What are the key properties of 4-thiophen-2-yl-1,3,4,6,7,8-hexahydropyrimido[4,5-d]pyridazine-2,5-dione?
4-thiophen-2-yl-1,3,4,6,7,8-hexahydropyrimido[4,5-d]pyridazine-2,5-dione has a molecular weight of 250.28 g/mol, XLogP of -0.01, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-1,3,4,6,7,8-hexahydropyrimido[4,5-d]pyridazine-2,5-dione is sourced from PubChem (CID 4780164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).