2-(prop-2-enylamino)-N-(pyridazin-3-ylmethyl)acetamide

C10H14N4O — CID 106896069

IUPAC2-(prop-2-enylamino)-N-(pyridazin-3-ylmethyl)acetamide
SMILESC=CCNCC(=O)NCc1cccnn1
InChIInChI=1S/C10H14N4O/c1-2-5-11-8-10(15)12-7-9-4-3-6-13-14-9/h2-4,6,11H,1,5,7-8H2,(H,12,15)
InChIKeyASXVUUGNTHLUBV-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.13
Rot. Bonds6

About 2-(prop-2-enylamino)-N-(pyridazin-3-ylmethyl)acetamide

2-(prop-2-enylamino)-N-(pyridazin-3-ylmethyl)acetamide (PubChem CID 106896069) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-(prop-2-enylamino)-N-(pyridazin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(prop-2-enylamino)-N-(pyridazin-3-ylmethyl)acetamide
PubChem CID106896069
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-(prop-2-enylamino)-N-(pyridazin-3-ylmethyl)acetamide
SMILESC=CCNCC(=O)NCc1cccnn1
InChIInChI=1S/C10H14N4O/c1-2-5-11-8-10(15)12-7-9-4-3-6-13-14-9/h2-4,6,11H,1,5,7-8H2,(H,12,15)
InChIKeyASXVUUGNTHLUBV-UHFFFAOYSA-N
XLogP-0.13
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(prop-2-enylamino)-N-(pyridazin-3-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(ethylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896183
2-(propylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896058
2-chloro-N-(pyridazin-3-ylmethyl)acetamide
CID 106895472
2-(tert-butylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106834522
N-phenyl-2-(pyridazin-3-ylmethylamino)acetamide
CID 106895878
2-[[2-(pyridazin-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 106897218
2-(2-aminophenyl)-N-(pyridazin-3-ylmethyl)acetamide
CID 106894537
2-(prop-2-enylamino)-N-(thiophen-3-ylmethyl)acetamide
CID 79279865
N-(4-fluorophenyl)-2-(pyridazin-3-ylmethylamino)acetamide
CID 106895590
N-(pyridazin-3-ylmethyl)formamide
CID 23498776
N-[(4-chlorophenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 78908309
N-[(4-bromophenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 79285936

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)-N-(pyridazin-3-ylmethyl)acetamide?
The IUPAC name of 2-(prop-2-enylamino)-N-(pyridazin-3-ylmethyl)acetamide (CID 106896069) is 2-(prop-2-enylamino)-N-(pyridazin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(prop-2-enylamino)-N-(pyridazin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(prop-2-enylamino)-N-(pyridazin-3-ylmethyl)acetamide is C=CCNCC(=O)NCc1cccnn1.
What is the InChIKey of 2-(prop-2-enylamino)-N-(pyridazin-3-ylmethyl)acetamide?
The InChIKey is ASXVUUGNTHLUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-2-5-11-8-10(15)12-7-9-4-3-6-13-14-9/h2-4,6,11H,1,5,7-8H2,(H,12,15).
What are the key properties of 2-(prop-2-enylamino)-N-(pyridazin-3-ylmethyl)acetamide?
2-(prop-2-enylamino)-N-(pyridazin-3-ylmethyl)acetamide has a molecular weight of 206.25 g/mol, XLogP of -0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)-N-(pyridazin-3-ylmethyl)acetamide is sourced from PubChem (CID 106896069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).