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

C12H13N3O2 — CID 170700110

IUPAC6-cyclobutyl-1-methyl-3H-pyrido[3,4-d]pyridazine-4,7-dione
SMILESCc1n[nH]c(=O)c2cn(C3CCC3)c(=O)cc12
InChIInChI=1S/C12H13N3O2/c1-7-9-5-11(16)15(8-3-2-4-8)6-10(9)12(17)14-13-7/h5-6,8H,2-4H2,1H3,(H,14,17)
InChIKeyNNJASHYRXNLVFT-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.12
Rot. Bonds1

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

6-cyclobutyl-1-methyl-3H-pyrido[3,4-d]pyridazine-4,7-dione (PubChem CID 170700110) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 6-cyclobutyl-1-methyl-3H-pyrido[3,4-d]pyridazine-4,7-dione.

Molecular Properties

Compound Name6-cyclobutyl-1-methyl-3H-pyrido[3,4-d]pyridazine-4,7-dione
PubChem CID170700110
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name6-cyclobutyl-1-methyl-3H-pyrido[3,4-d]pyridazine-4,7-dione
SMILESCc1n[nH]c(=O)c2cn(C3CCC3)c(=O)cc12
InChIInChI=1S/C12H13N3O2/c1-7-9-5-11(16)15(8-3-2-4-8)6-10(9)12(17)14-13-7/h5-6,8H,2-4H2,1H3,(H,14,17)
InChIKeyNNJASHYRXNLVFT-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-1-methyl-3H-pyrido[3,4-d]pyridazine-4,7-dione?
The IUPAC name of 6-cyclobutyl-1-methyl-3H-pyrido[3,4-d]pyridazine-4,7-dione (CID 170700110) is 6-cyclobutyl-1-methyl-3H-pyrido[3,4-d]pyridazine-4,7-dione.
What is the SMILES notation for 6-cyclobutyl-1-methyl-3H-pyrido[3,4-d]pyridazine-4,7-dione?
The canonical SMILES for 6-cyclobutyl-1-methyl-3H-pyrido[3,4-d]pyridazine-4,7-dione is Cc1n[nH]c(=O)c2cn(C3CCC3)c(=O)cc12.
What is the InChIKey of 6-cyclobutyl-1-methyl-3H-pyrido[3,4-d]pyridazine-4,7-dione?
The InChIKey is NNJASHYRXNLVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-7-9-5-11(16)15(8-3-2-4-8)6-10(9)12(17)14-13-7/h5-6,8H,2-4H2,1H3,(H,14,17).
What are the key properties of 6-cyclobutyl-1-methyl-3H-pyrido[3,4-d]pyridazine-4,7-dione?
6-cyclobutyl-1-methyl-3H-pyrido[3,4-d]pyridazine-4,7-dione has a molecular weight of 231.25 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-1-methyl-3H-pyrido[3,4-d]pyridazine-4,7-dione is sourced from PubChem (CID 170700110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).