4,5-dimethyl-7H-pyrimido[4,5-d]pyridazin-8-one

C8H8N4O — CID 134914734

IUPAC4,5-dimethyl-7H-pyrimido[4,5-d]pyridazin-8-one
SMILESCc1ncnc2c(=O)[nH]nc(C)c12
InChIInChI=1S/C8H8N4O/c1-4-6-5(2)11-12-8(13)7(6)10-3-9-4/h3H,1-2H3,(H,12,13)
InChIKeyJKVATELVFMEKJE-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.33
Rot. Bonds

About 4,5-dimethyl-7H-pyrimido[4,5-d]pyridazin-8-one

4,5-dimethyl-7H-pyrimido[4,5-d]pyridazin-8-one (PubChem CID 134914734) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 4,5-dimethyl-7H-pyrimido[4,5-d]pyridazin-8-one.

Molecular Properties

Compound Name4,5-dimethyl-7H-pyrimido[4,5-d]pyridazin-8-one
PubChem CID134914734
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name4,5-dimethyl-7H-pyrimido[4,5-d]pyridazin-8-one
SMILESCc1ncnc2c(=O)[nH]nc(C)c12
InChIInChI=1S/C8H8N4O/c1-4-6-5(2)11-12-8(13)7(6)10-3-9-4/h3H,1-2H3,(H,12,13)
InChIKeyJKVATELVFMEKJE-UHFFFAOYSA-N
XLogP0.33
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-7H-pyrimido[4,5-d]pyridazin-8-one?
The IUPAC name of 4,5-dimethyl-7H-pyrimido[4,5-d]pyridazin-8-one (CID 134914734) is 4,5-dimethyl-7H-pyrimido[4,5-d]pyridazin-8-one.
What is the SMILES notation for 4,5-dimethyl-7H-pyrimido[4,5-d]pyridazin-8-one?
The canonical SMILES for 4,5-dimethyl-7H-pyrimido[4,5-d]pyridazin-8-one is Cc1ncnc2c(=O)[nH]nc(C)c12.
What is the InChIKey of 4,5-dimethyl-7H-pyrimido[4,5-d]pyridazin-8-one?
The InChIKey is JKVATELVFMEKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-4-6-5(2)11-12-8(13)7(6)10-3-9-4/h3H,1-2H3,(H,12,13).
What are the key properties of 4,5-dimethyl-7H-pyrimido[4,5-d]pyridazin-8-one?
4,5-dimethyl-7H-pyrimido[4,5-d]pyridazin-8-one has a molecular weight of 176.18 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-7H-pyrimido[4,5-d]pyridazin-8-one is sourced from PubChem (CID 134914734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).