1,3-dimethylpyrimido[4,5-d]pyridazine-2,4-dione

C8H8N4O2 — CID 177216691

IUPAC1,3-dimethylpyrimido[4,5-d]pyridazine-2,4-dione
SMILESCn1c(=O)c2cnncc2n(C)c1=O
InChIInChI=1S/C8H8N4O2/c1-11-6-4-10-9-3-5(6)7(13)12(2)8(11)14/h3-4H,1-2H3
InChIKeyJGWSDCFZAVMUBC-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.97
Rot. Bonds

About 1,3-dimethylpyrimido[4,5-d]pyridazine-2,4-dione

1,3-dimethylpyrimido[4,5-d]pyridazine-2,4-dione (PubChem CID 177216691) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1,3-dimethylpyrimido[4,5-d]pyridazine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethylpyrimido[4,5-d]pyridazine-2,4-dione
PubChem CID177216691
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name1,3-dimethylpyrimido[4,5-d]pyridazine-2,4-dione
SMILESCn1c(=O)c2cnncc2n(C)c1=O
InChIInChI=1S/C8H8N4O2/c1-11-6-4-10-9-3-5(6)7(13)12(2)8(11)14/h3-4H,1-2H3
InChIKeyJGWSDCFZAVMUBC-UHFFFAOYSA-N
XLogP-0.97
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrimido[4,5-d]pyridazine-2,4-dione?
The IUPAC name of 1,3-dimethylpyrimido[4,5-d]pyridazine-2,4-dione (CID 177216691) is 1,3-dimethylpyrimido[4,5-d]pyridazine-2,4-dione.
What is the SMILES notation for 1,3-dimethylpyrimido[4,5-d]pyridazine-2,4-dione?
The canonical SMILES for 1,3-dimethylpyrimido[4,5-d]pyridazine-2,4-dione is Cn1c(=O)c2cnncc2n(C)c1=O.
What is the InChIKey of 1,3-dimethylpyrimido[4,5-d]pyridazine-2,4-dione?
The InChIKey is JGWSDCFZAVMUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-11-6-4-10-9-3-5(6)7(13)12(2)8(11)14/h3-4H,1-2H3.
What are the key properties of 1,3-dimethylpyrimido[4,5-d]pyridazine-2,4-dione?
1,3-dimethylpyrimido[4,5-d]pyridazine-2,4-dione has a molecular weight of 192.18 g/mol, XLogP of -0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrimido[4,5-d]pyridazine-2,4-dione is sourced from PubChem (CID 177216691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).