(3S)-3-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-2-one

C11H14N6O — CID 164638934

IUPAC(3S)-3-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-2-one
SMILESCc1nnc2ccc(N3CCNC(=O)[C@@H]3C)nn12
InChIInChI=1S/C11H14N6O/c1-7-11(18)12-5-6-16(7)10-4-3-9-14-13-8(2)17(9)15-10/h3-4,7H,5-6H2,1-2H3,(H,12,18)/t7-/m0/s1
InChIKeyDEVSMESGRBEKRM-ZETCQYMHSA-N
MW246.27 g/mol
LogP-0.24
Rot. Bonds1

About (3S)-3-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-2-one

(3S)-3-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-2-one (PubChem CID 164638934) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is (3S)-3-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-3-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-2-one
PubChem CID164638934
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name(3S)-3-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-2-one
SMILESCc1nnc2ccc(N3CCNC(=O)[C@@H]3C)nn12
InChIInChI=1S/C11H14N6O/c1-7-11(18)12-5-6-16(7)10-4-3-9-14-13-8(2)17(9)15-10/h3-4,7H,5-6H2,1-2H3,(H,12,18)/t7-/m0/s1
InChIKeyDEVSMESGRBEKRM-ZETCQYMHSA-N
XLogP-0.24
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-3-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-2-one 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 (3S)-3-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-2-one?
The IUPAC name of (3S)-3-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-2-one (CID 164638934) is (3S)-3-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-2-one.
What is the SMILES notation for (3S)-3-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-2-one?
The canonical SMILES for (3S)-3-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-2-one is Cc1nnc2ccc(N3CCNC(=O)[C@@H]3C)nn12.
What is the InChIKey of (3S)-3-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-2-one?
The InChIKey is DEVSMESGRBEKRM-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14N6O/c1-7-11(18)12-5-6-16(7)10-4-3-9-14-13-8(2)17(9)15-10/h3-4,7H,5-6H2,1-2H3,(H,12,18)/t7-/m0/s1.
What are the key properties of (3S)-3-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-2-one?
(3S)-3-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-2-one has a molecular weight of 246.27 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-2-one is sourced from PubChem (CID 164638934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).