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

C16H17N5O2 — CID 7532509

IUPAC2-ethoxy-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
SMILESCCOCC(=O)Nc1cccc(-c2ccc3nnc(C)n3n2)c1
InChIInChI=1S/C16H17N5O2/c1-3-23-10-16(22)17-13-6-4-5-12(9-13)14-7-8-15-19-18-11(2)21(15)20-14/h4-9H,3,10H2,1-2H3,(H,17,22)
InChIKeyJRPADKFECRIQJH-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.07
Rot. Bonds5

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

2-ethoxy-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (PubChem CID 7532509) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-ethoxy-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
PubChem CID7532509
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name2-ethoxy-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
SMILESCCOCC(=O)Nc1cccc(-c2ccc3nnc(C)n3n2)c1
InChIInChI=1S/C16H17N5O2/c1-3-23-10-16(22)17-13-6-4-5-12(9-13)14-7-8-15-19-18-11(2)21(15)20-14/h4-9H,3,10H2,1-2H3,(H,17,22)
InChIKeyJRPADKFECRIQJH-UHFFFAOYSA-N
XLogP2.07
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532764
2-(2,4-dichlorophenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 16872844
N-[2-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)anilino]-2-oxoethyl]benzamide
CID 121036304
2-(4-fluorophenyl)sulfanyl-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036347
2-(3-ethoxyphenoxy)-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide
CID 43971607
methyl 4-[[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]carbamoyl]benzoate
CID 121036330
2-methoxy-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532694
3-methyl-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532492
4-butoxy-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532442
4-fluoro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532465
2-ethoxy-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532665
N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,2-oxazole-5-carboxamide
CID 121036367

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The IUPAC name of 2-ethoxy-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (CID 7532509) is 2-ethoxy-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is CCOCC(=O)Nc1cccc(-c2ccc3nnc(C)n3n2)c1.
What is the InChIKey of 2-ethoxy-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The InChIKey is JRPADKFECRIQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-3-23-10-16(22)17-13-6-4-5-12(9-13)14-7-8-15-19-18-11(2)21(15)20-14/h4-9H,3,10H2,1-2H3,(H,17,22).
What are the key properties of 2-ethoxy-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
2-ethoxy-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide has a molecular weight of 311.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is sourced from PubChem (CID 7532509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).