2-methylpyrimido[4,5-d]pyridazine

C7H6N4 — CID 89392042

IUPAC2-methylpyrimido[4,5-d]pyridazine
SMILESCc1ncc2cnncc2n1
InChIInChI=1S/C7H6N4/c1-5-8-2-6-3-9-10-4-7(6)11-5/h2-4H,1H3
InChIKeyQSJJCFYDOBUOCU-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.73
Rot. Bonds

About 2-methylpyrimido[4,5-d]pyridazine

2-methylpyrimido[4,5-d]pyridazine (PubChem CID 89392042) has the molecular formula C7H6N4 and a molecular weight of 146.15 g/mol. Its IUPAC name is 2-methylpyrimido[4,5-d]pyridazine.

Molecular Properties

Compound Name2-methylpyrimido[4,5-d]pyridazine
PubChem CID89392042
Molecular FormulaC7H6N4
Molecular Weight146.15 g/mol
Exact Mass146.06
IUPAC Name2-methylpyrimido[4,5-d]pyridazine
SMILESCc1ncc2cnncc2n1
InChIInChI=1S/C7H6N4/c1-5-8-2-6-3-9-10-4-7(6)11-5/h2-4H,1H3
InChIKeyQSJJCFYDOBUOCU-UHFFFAOYSA-N
XLogP0.73
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpyrimido[4,5-d]pyridazine?
The IUPAC name of 2-methylpyrimido[4,5-d]pyridazine (CID 89392042) is 2-methylpyrimido[4,5-d]pyridazine.
What is the SMILES notation for 2-methylpyrimido[4,5-d]pyridazine?
The canonical SMILES for 2-methylpyrimido[4,5-d]pyridazine is Cc1ncc2cnncc2n1.
What is the InChIKey of 2-methylpyrimido[4,5-d]pyridazine?
The InChIKey is QSJJCFYDOBUOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4/c1-5-8-2-6-3-9-10-4-7(6)11-5/h2-4H,1H3.
What are the key properties of 2-methylpyrimido[4,5-d]pyridazine?
2-methylpyrimido[4,5-d]pyridazine has a molecular weight of 146.15 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrimido[4,5-d]pyridazine is sourced from PubChem (CID 89392042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).