N-[2-[(5-methylpyridazin-3-yl)amino]ethyl]acetamide

C9H14N4O — CID 106549525

IUPACN-[2-[(5-methylpyridazin-3-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1cc(C)cnn1
InChIInChI=1S/C9H14N4O/c1-7-5-9(13-12-6-7)11-4-3-10-8(2)14/h5-6H,3-4H2,1-2H3,(H,10,14)(H,11,13)
InChIKeyDMQRDSVFKCVPET-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.33
Rot. Bonds4

About N-[2-[(5-methylpyridazin-3-yl)amino]ethyl]acetamide

N-[2-[(5-methylpyridazin-3-yl)amino]ethyl]acetamide (PubChem CID 106549525) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N-[2-[(5-methylpyridazin-3-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(5-methylpyridazin-3-yl)amino]ethyl]acetamide
PubChem CID106549525
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN-[2-[(5-methylpyridazin-3-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1cc(C)cnn1
InChIInChI=1S/C9H14N4O/c1-7-5-9(13-12-6-7)11-4-3-10-8(2)14/h5-6H,3-4H2,1-2H3,(H,10,14)(H,11,13)
InChIKeyDMQRDSVFKCVPET-UHFFFAOYSA-N
XLogP0.33
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.33
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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Related Compounds

5-methyl-N-(3-methylbut-3-enyl)pyridazin-3-amine
CID 130908778
N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
CID 106549356
N,N-diethyl-3-[(5-methylpyridazin-3-yl)amino]propanamide
CID 106549555
N'-(5-methylpyridazin-3-yl)hexane-1,6-diamine
CID 107845062
N-[2-[(6-methylpyrazin-2-yl)amino]ethyl]acetamide
CID 126990889
N'-(5-methylpyridazin-3-yl)pentane-1,5-diamine
CID 107323443
N-but-3-ynyl-5-methylpyridazin-3-amine
CID 106549778
5-[(5-methylpyridazin-3-yl)amino]pentan-2-ol
CID 106128597
N-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]acetamide
CID 63207920
5-methyl-N-pent-3-ynylpyridazin-3-amine
CID 106550017
3-[(5-methylpyridazin-3-yl)amino]propane-1-sulfonamide
CID 106549682
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 45497026

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methylpyridazin-3-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(5-methylpyridazin-3-yl)amino]ethyl]acetamide (CID 106549525) is N-[2-[(5-methylpyridazin-3-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(5-methylpyridazin-3-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(5-methylpyridazin-3-yl)amino]ethyl]acetamide is CC(=O)NCCNc1cc(C)cnn1.
What is the InChIKey of N-[2-[(5-methylpyridazin-3-yl)amino]ethyl]acetamide?
The InChIKey is DMQRDSVFKCVPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-7-5-9(13-12-6-7)11-4-3-10-8(2)14/h5-6H,3-4H2,1-2H3,(H,10,14)(H,11,13).
What are the key properties of N-[2-[(5-methylpyridazin-3-yl)amino]ethyl]acetamide?
N-[2-[(5-methylpyridazin-3-yl)amino]ethyl]acetamide has a molecular weight of 194.24 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methylpyridazin-3-yl)amino]ethyl]acetamide is sourced from PubChem (CID 106549525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).