2-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide

C13H18N6O2 — CID 121181805

IUPAC2-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide
SMILESCOCC(=O)NCc1nnc2ccc(N3CCCC3)nn12
InChIInChI=1S/C13H18N6O2/c1-21-9-13(20)14-8-12-16-15-10-4-5-11(17-19(10)12)18-6-2-3-7-18/h4-5H,2-3,6-9H2,1H3,(H,14,20)
InChIKeyWFECGPHNQDGLAF-UHFFFAOYSA-N
MW290.33 g/mol
LogP-0.01
Rot. Bonds5

About 2-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide

2-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide (PubChem CID 121181805) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide
PubChem CID121181805
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name2-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide
SMILESCOCC(=O)NCc1nnc2ccc(N3CCCC3)nn12
InChIInChI=1S/C13H18N6O2/c1-21-9-13(20)14-8-12-16-15-10-4-5-11(17-19(10)12)18-6-2-3-7-18/h4-5H,2-3,6-9H2,1H3,(H,14,20)
InChIKeyWFECGPHNQDGLAF-UHFFFAOYSA-N
XLogP-0.01
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]oxolane-3-carboxamide
CID 129417899
N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]oxolane-3-carboxamide
CID 121181824
3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-propylpropanamide
CID 46275085
(3R)-1,1-dioxo-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]thiolane-3-carboxamide
CID 129417407
6-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide
CID 91818965
N-(3,5-dimethoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20904002
3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 20903989
N-(3,4-dimethoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20903995
N-[(4-methoxyphenyl)methyl]-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903861
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
CID 71842546
N-(3-methoxypropyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903896
N-[2-(4-methylsulfanylphenyl)ethyl]-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20903834

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide?
The IUPAC name of 2-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide (CID 121181805) is 2-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide?
The canonical SMILES for 2-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide is COCC(=O)NCc1nnc2ccc(N3CCCC3)nn12.
What is the InChIKey of 2-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide?
The InChIKey is WFECGPHNQDGLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-21-9-13(20)14-8-12-16-15-10-4-5-11(17-19(10)12)18-6-2-3-7-18/h4-5H,2-3,6-9H2,1H3,(H,14,20).
What are the key properties of 2-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide?
2-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide has a molecular weight of 290.33 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide is sourced from PubChem (CID 121181805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).