4,8-dimethylpyrimido[4,5-d]pyridazine

C8H8N4 — CID 166898202

IUPAC4,8-dimethylpyrimido[4,5-d]pyridazine
SMILESCc1ncnc2c(C)nncc12
InChIInChI=1S/C8H8N4/c1-5-7-3-11-12-6(2)8(7)10-4-9-5/h3-4H,1-2H3
InChIKeyKXKWZNYTSJBTGK-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.04
Rot. Bonds

About 4,8-dimethylpyrimido[4,5-d]pyridazine

4,8-dimethylpyrimido[4,5-d]pyridazine (PubChem CID 166898202) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 4,8-dimethylpyrimido[4,5-d]pyridazine.

Molecular Properties

Compound Name4,8-dimethylpyrimido[4,5-d]pyridazine
PubChem CID166898202
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name4,8-dimethylpyrimido[4,5-d]pyridazine
SMILESCc1ncnc2c(C)nncc12
InChIInChI=1S/C8H8N4/c1-5-7-3-11-12-6(2)8(7)10-4-9-5/h3-4H,1-2H3
InChIKeyKXKWZNYTSJBTGK-UHFFFAOYSA-N
XLogP1.04
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethylpyrimido[4,5-d]pyridazine?
The IUPAC name of 4,8-dimethylpyrimido[4,5-d]pyridazine (CID 166898202) is 4,8-dimethylpyrimido[4,5-d]pyridazine.
What is the SMILES notation for 4,8-dimethylpyrimido[4,5-d]pyridazine?
The canonical SMILES for 4,8-dimethylpyrimido[4,5-d]pyridazine is Cc1ncnc2c(C)nncc12.
What is the InChIKey of 4,8-dimethylpyrimido[4,5-d]pyridazine?
The InChIKey is KXKWZNYTSJBTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c1-5-7-3-11-12-6(2)8(7)10-4-9-5/h3-4H,1-2H3.
What are the key properties of 4,8-dimethylpyrimido[4,5-d]pyridazine?
4,8-dimethylpyrimido[4,5-d]pyridazine has a molecular weight of 160.18 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethylpyrimido[4,5-d]pyridazine is sourced from PubChem (CID 166898202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).