6-cyclopropyl-1-methyl-3H-pyrido[3,4-d]pyridazine-4,7-dione

C11H11N3O2 — CID 170700155

IUPAC6-cyclopropyl-1-methyl-3H-pyrido[3,4-d]pyridazine-4,7-dione
SMILESCc1n[nH]c(=O)c2cn(C3CC3)c(=O)cc12
InChIInChI=1S/C11H11N3O2/c1-6-8-4-10(15)14(7-2-3-7)5-9(8)11(16)13-12-6/h4-5,7H,2-3H2,1H3,(H,13,16)
InChIKeyXMTMRNLZPPGLLR-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.73
Rot. Bonds1

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

6-cyclopropyl-1-methyl-3H-pyrido[3,4-d]pyridazine-4,7-dione (PubChem CID 170700155) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 6-cyclopropyl-1-methyl-3H-pyrido[3,4-d]pyridazine-4,7-dione.

Molecular Properties

Compound Name6-cyclopropyl-1-methyl-3H-pyrido[3,4-d]pyridazine-4,7-dione
PubChem CID170700155
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name6-cyclopropyl-1-methyl-3H-pyrido[3,4-d]pyridazine-4,7-dione
SMILESCc1n[nH]c(=O)c2cn(C3CC3)c(=O)cc12
InChIInChI=1S/C11H11N3O2/c1-6-8-4-10(15)14(7-2-3-7)5-9(8)11(16)13-12-6/h4-5,7H,2-3H2,1H3,(H,13,16)
InChIKeyXMTMRNLZPPGLLR-UHFFFAOYSA-N
XLogP0.73
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-cyclopropyl-1-methyl-3H-pyrido[3,4-d]pyridazine-4,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-6-(1-methylcyclopropyl)-3H-pyrido[3,4-d]pyridazine-4,7-dione
CID 168985355
6-cyclobutyl-1-methyl-3H-pyrido[3,4-d]pyridazine-4,7-dione
CID 170700110
6-cyclopropyl-1,8-dimethyl-3H-pyrido[3,4-d]pyridazine-4,7-dione
CID 170700123
1-methyl-6-(oxan-4-yl)-3H-pyrido[3,4-d]pyridazine-4,7-dione
CID 170700178
6-(1-methylcyclopropyl)-2H-pyrido[3,4-d]pyridazine-1,7-dione
CID 176036885

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-methyl-3H-pyrido[3,4-d]pyridazine-4,7-dione?
The IUPAC name of 6-cyclopropyl-1-methyl-3H-pyrido[3,4-d]pyridazine-4,7-dione (CID 170700155) is 6-cyclopropyl-1-methyl-3H-pyrido[3,4-d]pyridazine-4,7-dione.
What is the SMILES notation for 6-cyclopropyl-1-methyl-3H-pyrido[3,4-d]pyridazine-4,7-dione?
The canonical SMILES for 6-cyclopropyl-1-methyl-3H-pyrido[3,4-d]pyridazine-4,7-dione is Cc1n[nH]c(=O)c2cn(C3CC3)c(=O)cc12.
What is the InChIKey of 6-cyclopropyl-1-methyl-3H-pyrido[3,4-d]pyridazine-4,7-dione?
The InChIKey is XMTMRNLZPPGLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-6-8-4-10(15)14(7-2-3-7)5-9(8)11(16)13-12-6/h4-5,7H,2-3H2,1H3,(H,13,16).
What are the key properties of 6-cyclopropyl-1-methyl-3H-pyrido[3,4-d]pyridazine-4,7-dione?
6-cyclopropyl-1-methyl-3H-pyrido[3,4-d]pyridazine-4,7-dione has a molecular weight of 217.23 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-methyl-3H-pyrido[3,4-d]pyridazine-4,7-dione is sourced from PubChem (CID 170700155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).