(2R)-2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid

C11H15N3O3 — CID 97181220

IUPAC(2R)-2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid
SMILESC[C@H](C(=O)O)n1nc2c(cc1=O)CN(C)CC2
InChIInChI=1S/C11H15N3O3/c1-7(11(16)17)14-10(15)5-8-6-13(2)4-3-9(8)12-14/h5,7H,3-4,6H2,1-2H3,(H,16,17)/t7-/m1/s1
InChIKeyMTOOUOJRRMNKKV-SSDOTTSWSA-N
MW237.26 g/mol
LogP-0.12
Rot. Bonds2

About (2R)-2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid

(2R)-2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid (PubChem CID 97181220) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is (2R)-2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid
PubChem CID97181220
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name(2R)-2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid
SMILESC[C@H](C(=O)O)n1nc2c(cc1=O)CN(C)CC2
InChIInChI=1S/C11H15N3O3/c1-7(11(16)17)14-10(15)5-8-6-13(2)4-3-9(8)12-14/h5,7H,3-4,6H2,1-2H3,(H,16,17)/t7-/m1/s1
InChIKeyMTOOUOJRRMNKKV-SSDOTTSWSA-N
XLogP-0.12
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid?
The IUPAC name of (2R)-2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid (CID 97181220) is (2R)-2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid.
What is the SMILES notation for (2R)-2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid?
The canonical SMILES for (2R)-2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid is C[C@H](C(=O)O)n1nc2c(cc1=O)CN(C)CC2.
What is the InChIKey of (2R)-2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid?
The InChIKey is MTOOUOJRRMNKKV-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7(11(16)17)14-10(15)5-8-6-13(2)4-3-9(8)12-14/h5,7H,3-4,6H2,1-2H3,(H,16,17)/t7-/m1/s1.
What are the key properties of (2R)-2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid?
(2R)-2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid has a molecular weight of 237.26 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-2-yl)propanoic acid is sourced from PubChem (CID 97181220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).