2-(propylamino)-N-(pyridazin-3-ylmethyl)acetamide

C10H16N4O — CID 106896058

IUPAC2-(propylamino)-N-(pyridazin-3-ylmethyl)acetamide
SMILESCCCNCC(=O)NCc1cccnn1
InChIInChI=1S/C10H16N4O/c1-2-5-11-8-10(15)12-7-9-4-3-6-13-14-9/h3-4,6,11H,2,5,7-8H2,1H3,(H,12,15)
InChIKeyOLNIKDBDLMMELL-UHFFFAOYSA-N
MW208.27 g/mol
LogP0.09
Rot. Bonds6

About 2-(propylamino)-N-(pyridazin-3-ylmethyl)acetamide

2-(propylamino)-N-(pyridazin-3-ylmethyl)acetamide (PubChem CID 106896058) has the molecular formula C10H16N4O and a molecular weight of 208.27 g/mol. Its IUPAC name is 2-(propylamino)-N-(pyridazin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(propylamino)-N-(pyridazin-3-ylmethyl)acetamide
PubChem CID106896058
Molecular FormulaC10H16N4O
Molecular Weight208.27 g/mol
Exact Mass208.13
IUPAC Name2-(propylamino)-N-(pyridazin-3-ylmethyl)acetamide
SMILESCCCNCC(=O)NCc1cccnn1
InChIInChI=1S/C10H16N4O/c1-2-5-11-8-10(15)12-7-9-4-3-6-13-14-9/h3-4,6,11H,2,5,7-8H2,1H3,(H,12,15)
InChIKeyOLNIKDBDLMMELL-UHFFFAOYSA-N
XLogP0.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 50.09
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

2-(ethylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896183
2-(prop-2-enylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896069
2-chloro-N-(pyridazin-3-ylmethyl)acetamide
CID 106895472
2-(tert-butylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106834522
N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)acetamide
CID 63306613
2-[[2-(pyridazin-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 106897218
N-[(2-hydroxyphenyl)methyl]-2-(propylamino)acetamide
CID 114332282
2-amino-2-methyl-N-(pyridazin-3-ylmethyl)pentanamide
CID 106896146
(2R)-2-amino-N-(pyridazin-3-ylmethyl)pentanamide
CID 107570944
2-(2-aminophenyl)-N-(pyridazin-3-ylmethyl)acetamide
CID 106894537
N-phenyl-2-(pyridazin-3-ylmethylamino)acetamide
CID 106895878
2-amino-2-methyl-N-(pyridazin-3-ylmethyl)butanamide
CID 106896008

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-N-(pyridazin-3-ylmethyl)acetamide?
The IUPAC name of 2-(propylamino)-N-(pyridazin-3-ylmethyl)acetamide (CID 106896058) is 2-(propylamino)-N-(pyridazin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(propylamino)-N-(pyridazin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(propylamino)-N-(pyridazin-3-ylmethyl)acetamide is CCCNCC(=O)NCc1cccnn1.
What is the InChIKey of 2-(propylamino)-N-(pyridazin-3-ylmethyl)acetamide?
The InChIKey is OLNIKDBDLMMELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-2-5-11-8-10(15)12-7-9-4-3-6-13-14-9/h3-4,6,11H,2,5,7-8H2,1H3,(H,12,15).
What are the key properties of 2-(propylamino)-N-(pyridazin-3-ylmethyl)acetamide?
2-(propylamino)-N-(pyridazin-3-ylmethyl)acetamide has a molecular weight of 208.27 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-N-(pyridazin-3-ylmethyl)acetamide is sourced from PubChem (CID 106896058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).