6-[methyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C12H18N6O — CID 106641943

IUPAC6-[methyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCN(CC1CCCCN1)c1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C12H18N6O/c1-17(8-9-4-2-3-7-13-9)11-6-5-10-14-15-12(19)18(10)16-11/h5-6,9,13H,2-4,7-8H2,1H3,(H,15,19)
InChIKeyRCDYPKZJYHPWAP-UHFFFAOYSA-N
MW262.32 g/mol
LogP-0.00
Rot. Bonds3

About 6-[methyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-[methyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 106641943) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 6-[methyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[methyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID106641943
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name6-[methyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCN(CC1CCCCN1)c1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C12H18N6O/c1-17(8-9-4-2-3-7-13-9)11-6-5-10-14-15-12(19)18(10)16-11/h5-6,9,13H,2-4,7-8H2,1H3,(H,15,19)
InChIKeyRCDYPKZJYHPWAP-UHFFFAOYSA-N
XLogP-0.00
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[methyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one 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

7-[ethyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 106641853
6-[cyclopentyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282853
3-(3-fluorophenyl)-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 166304644
6-[2-(tert-butylamino)ethyl-methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283839
7-[cyclopropyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 106641194
2-chloro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine
CID 97164149
6-[methyl(piperidin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 106642122
6-bromo-N-methyl-N-(piperidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106641947
5-bromo-N-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 71641969
5-bromo-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-amine
CID 97164291
6-[(2,2-dimethylcyclohexyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 79870359
6-[methyl(pyrrolidin-2-ylmethyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 106618394

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[methyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 106641943) is 6-[methyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[methyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[methyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CN(CC1CCCCN1)c1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-[methyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is RCDYPKZJYHPWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-17(8-9-4-2-3-7-13-9)11-6-5-10-14-15-12(19)18(10)16-11/h5-6,9,13H,2-4,7-8H2,1H3,(H,15,19).
What are the key properties of 6-[methyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[methyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 262.32 g/mol, XLogP of -0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(piperidin-2-ylmethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 106641943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).