1-methyl-6-(1-methylcyclopropyl)-3H-pyrido[3,4-d]pyridazine-4,7-dione

C12H13N3O2 — CID 168985355

IUPAC1-methyl-6-(1-methylcyclopropyl)-3H-pyrido[3,4-d]pyridazine-4,7-dione
SMILESCc1n[nH]c(=O)c2cn(C3(C)CC3)c(=O)cc12
InChIInChI=1S/C12H13N3O2/c1-7-8-5-10(16)15(12(2)3-4-12)6-9(8)11(17)14-13-7/h5-6H,3-4H2,1-2H3,(H,14,17)
InChIKeyGXILAQGPPVNPJG-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.90
Rot. Bonds1

About 1-methyl-6-(1-methylcyclopropyl)-3H-pyrido[3,4-d]pyridazine-4,7-dione

1-methyl-6-(1-methylcyclopropyl)-3H-pyrido[3,4-d]pyridazine-4,7-dione (PubChem CID 168985355) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-methyl-6-(1-methylcyclopropyl)-3H-pyrido[3,4-d]pyridazine-4,7-dione.

Molecular Properties

Compound Name1-methyl-6-(1-methylcyclopropyl)-3H-pyrido[3,4-d]pyridazine-4,7-dione
PubChem CID168985355
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name1-methyl-6-(1-methylcyclopropyl)-3H-pyrido[3,4-d]pyridazine-4,7-dione
SMILESCc1n[nH]c(=O)c2cn(C3(C)CC3)c(=O)cc12
InChIInChI=1S/C12H13N3O2/c1-7-8-5-10(16)15(12(2)3-4-12)6-9(8)11(17)14-13-7/h5-6H,3-4H2,1-2H3,(H,14,17)
InChIKeyGXILAQGPPVNPJG-UHFFFAOYSA-N
XLogP0.90
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(1-methylcyclopropyl)-3H-pyrido[3,4-d]pyridazine-4,7-dione?
The IUPAC name of 1-methyl-6-(1-methylcyclopropyl)-3H-pyrido[3,4-d]pyridazine-4,7-dione (CID 168985355) is 1-methyl-6-(1-methylcyclopropyl)-3H-pyrido[3,4-d]pyridazine-4,7-dione.
What is the SMILES notation for 1-methyl-6-(1-methylcyclopropyl)-3H-pyrido[3,4-d]pyridazine-4,7-dione?
The canonical SMILES for 1-methyl-6-(1-methylcyclopropyl)-3H-pyrido[3,4-d]pyridazine-4,7-dione is Cc1n[nH]c(=O)c2cn(C3(C)CC3)c(=O)cc12.
What is the InChIKey of 1-methyl-6-(1-methylcyclopropyl)-3H-pyrido[3,4-d]pyridazine-4,7-dione?
The InChIKey is GXILAQGPPVNPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-7-8-5-10(16)15(12(2)3-4-12)6-9(8)11(17)14-13-7/h5-6H,3-4H2,1-2H3,(H,14,17).
What are the key properties of 1-methyl-6-(1-methylcyclopropyl)-3H-pyrido[3,4-d]pyridazine-4,7-dione?
1-methyl-6-(1-methylcyclopropyl)-3H-pyrido[3,4-d]pyridazine-4,7-dione has a molecular weight of 231.25 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(1-methylcyclopropyl)-3H-pyrido[3,4-d]pyridazine-4,7-dione is sourced from PubChem (CID 168985355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).