N-[2-(pyridazin-3-ylamino)ethyl]acetamide

C8H12N4O — CID 22118653

IUPACN-[2-(pyridazin-3-ylamino)ethyl]acetamide
SMILESCC(=O)NCCNc1cccnn1
InChIInChI=1S/C8H12N4O/c1-7(13)9-5-6-10-8-3-2-4-11-12-8/h2-4H,5-6H2,1H3,(H,9,13)(H,10,12)
InChIKeyAASRQJBPXDYVSY-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.02
Rot. Bonds4

About N-[2-(pyridazin-3-ylamino)ethyl]acetamide

N-[2-(pyridazin-3-ylamino)ethyl]acetamide (PubChem CID 22118653) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is N-[2-(pyridazin-3-ylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(pyridazin-3-ylamino)ethyl]acetamide
PubChem CID22118653
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC NameN-[2-(pyridazin-3-ylamino)ethyl]acetamide
SMILESCC(=O)NCCNc1cccnn1
InChIInChI=1S/C8H12N4O/c1-7(13)9-5-6-10-8-3-2-4-11-12-8/h2-4H,5-6H2,1H3,(H,9,13)(H,10,12)
InChIKeyAASRQJBPXDYVSY-UHFFFAOYSA-N
XLogP0.02
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(pyridazin-3-ylamino)ethyl]acetamide?
The IUPAC name of N-[2-(pyridazin-3-ylamino)ethyl]acetamide (CID 22118653) is N-[2-(pyridazin-3-ylamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(pyridazin-3-ylamino)ethyl]acetamide?
The canonical SMILES for N-[2-(pyridazin-3-ylamino)ethyl]acetamide is CC(=O)NCCNc1cccnn1.
What is the InChIKey of N-[2-(pyridazin-3-ylamino)ethyl]acetamide?
The InChIKey is AASRQJBPXDYVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-7(13)9-5-6-10-8-3-2-4-11-12-8/h2-4H,5-6H2,1H3,(H,9,13)(H,10,12).
What are the key properties of N-[2-(pyridazin-3-ylamino)ethyl]acetamide?
N-[2-(pyridazin-3-ylamino)ethyl]acetamide has a molecular weight of 180.21 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyridazin-3-ylamino)ethyl]acetamide is sourced from PubChem (CID 22118653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).