N-[1-(6-methylpyridazin-3-yl)ethyl]acetamide

C9H13N3O — CID 170758680

IUPACN-[1-(6-methylpyridazin-3-yl)ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(C)nn1
InChIInChI=1S/C9H13N3O/c1-6-4-5-9(12-11-6)7(2)10-8(3)13/h4-5,7H,1-3H3,(H,10,13)
InChIKeyXAYXEFYNQWZAGW-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.98
Rot. Bonds2

About N-[1-(6-methylpyridazin-3-yl)ethyl]acetamide

N-[1-(6-methylpyridazin-3-yl)ethyl]acetamide (PubChem CID 170758680) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-[1-(6-methylpyridazin-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(6-methylpyridazin-3-yl)ethyl]acetamide
PubChem CID170758680
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-[1-(6-methylpyridazin-3-yl)ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(C)nn1
InChIInChI=1S/C9H13N3O/c1-6-4-5-9(12-11-6)7(2)10-8(3)13/h4-5,7H,1-3H3,(H,10,13)
InChIKeyXAYXEFYNQWZAGW-UHFFFAOYSA-N
XLogP0.98
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methylpyridazin-3-yl)ethyl]acetamide?
The IUPAC name of N-[1-(6-methylpyridazin-3-yl)ethyl]acetamide (CID 170758680) is N-[1-(6-methylpyridazin-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[1-(6-methylpyridazin-3-yl)ethyl]acetamide?
The canonical SMILES for N-[1-(6-methylpyridazin-3-yl)ethyl]acetamide is CC(=O)NC(C)c1ccc(C)nn1.
What is the InChIKey of N-[1-(6-methylpyridazin-3-yl)ethyl]acetamide?
The InChIKey is XAYXEFYNQWZAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-4-5-9(12-11-6)7(2)10-8(3)13/h4-5,7H,1-3H3,(H,10,13).
What are the key properties of N-[1-(6-methylpyridazin-3-yl)ethyl]acetamide?
N-[1-(6-methylpyridazin-3-yl)ethyl]acetamide has a molecular weight of 179.22 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methylpyridazin-3-yl)ethyl]acetamide is sourced from PubChem (CID 170758680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).