2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide

C12H16N6O2 — CID 122292649

IUPAC2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
SMILESCOCC(=O)NCCNc1ccc(-n2cccn2)nn1
InChIInChI=1S/C12H16N6O2/c1-20-9-12(19)14-7-6-13-10-3-4-11(17-16-10)18-8-2-5-15-18/h2-5,8H,6-7,9H2,1H3,(H,13,16)(H,14,19)
InChIKeyPETNNGJKTJWJAP-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.16
Rot. Bonds7

About 2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide

2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide (PubChem CID 122292649) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
PubChem CID122292649
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
SMILESCOCC(=O)NCCNc1ccc(-n2cccn2)nn1
InChIInChI=1S/C12H16N6O2/c1-20-9-12(19)14-7-6-13-10-3-4-11(17-16-10)18-8-2-5-15-18/h2-5,8H,6-7,9H2,1H3,(H,13,16)(H,14,19)
InChIKeyPETNNGJKTJWJAP-UHFFFAOYSA-N
XLogP-0.16
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]butanamide
CID 16654552
3-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
CID 122292805
2-(2,4-dichlorophenoxy)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292661
2-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292745
2-[methyl(methylsulfonyl)amino]-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292782
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
CID 122292723
3-(3-chlorophenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
CID 122292804
benzyl N-[2-oxo-2-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethylamino]ethyl]carbamate
CID 122292820
1-(2-ethylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 122292682
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292825
3-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 56699820
N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]-2-(trifluoromethyl)benzamide
CID 16654512

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
The IUPAC name of 2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide (CID 122292649) is 2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
The canonical SMILES for 2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide is COCC(=O)NCCNc1ccc(-n2cccn2)nn1.
What is the InChIKey of 2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
The InChIKey is PETNNGJKTJWJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-20-9-12(19)14-7-6-13-10-3-4-11(17-16-10)18-8-2-5-15-18/h2-5,8H,6-7,9H2,1H3,(H,13,16)(H,14,19).
What are the key properties of 2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide has a molecular weight of 276.30 g/mol, XLogP of -0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide is sourced from PubChem (CID 122292649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).