2-[[4-(aminomethyl)pyridazin-3-yl]-butylamino]acetamide

C11H19N5O — CID 80508966

IUPAC2-[[4-(aminomethyl)pyridazin-3-yl]-butylamino]acetamide
SMILESCCCCN(CC(N)=O)c1nnccc1CN
InChIInChI=1S/C11H19N5O/c1-2-3-6-16(8-10(13)17)11-9(7-12)4-5-14-15-11/h4-5H,2-3,6-8,12H2,1H3,(H2,13,17)
InChIKeyPCTAWFISGDEWHO-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.03
Rot. Bonds7

About 2-[[4-(aminomethyl)pyridazin-3-yl]-butylamino]acetamide

2-[[4-(aminomethyl)pyridazin-3-yl]-butylamino]acetamide (PubChem CID 80508966) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)pyridazin-3-yl]-butylamino]acetamide.

Molecular Properties

Compound Name2-[[4-(aminomethyl)pyridazin-3-yl]-butylamino]acetamide
PubChem CID80508966
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-[[4-(aminomethyl)pyridazin-3-yl]-butylamino]acetamide
SMILESCCCCN(CC(N)=O)c1nnccc1CN
InChIInChI=1S/C11H19N5O/c1-2-3-6-16(8-10(13)17)11-9(7-12)4-5-14-15-11/h4-5H,2-3,6-8,12H2,1H3,(H2,13,17)
InChIKeyPCTAWFISGDEWHO-UHFFFAOYSA-N
XLogP0.03
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(aminomethyl)pyridazin-3-yl]-ethylamino]acetamide
CID 103101216
4-(aminomethyl)-N-butyl-N-ethylpyridazin-3-amine
CID 80507569
2-[[4-(aminomethyl)pyridazin-3-yl]-propylamino]-N-methylacetamide
CID 80509081
2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-butylamino]acetamide
CID 79873826
2-[butyl(pyrimidin-2-yl)amino]acetamide
CID 84590934
2-[[6-(aminomethyl)-3-pyridinyl]-butylamino]acetamide
CID 115486965
2-[(4-aminopyrimidin-2-yl)-butylamino]acetamide
CID 116796582
2-[(3-amino-4-cyano-2-pyridinyl)-butylamino]acetamide
CID 82817305
2-[[3-(aminomethyl)-2-pyridinyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62922923
2-[[2-(aminomethyl)phenyl]methyl-butylamino]acetamide
CID 55002605
2-[(2-aminopyrimidin-4-yl)-butylamino]acetamide
CID 80821112
2-[(6-amino-5-methylpyrimidin-4-yl)-butylamino]acetamide
CID 80821350

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)pyridazin-3-yl]-butylamino]acetamide?
The IUPAC name of 2-[[4-(aminomethyl)pyridazin-3-yl]-butylamino]acetamide (CID 80508966) is 2-[[4-(aminomethyl)pyridazin-3-yl]-butylamino]acetamide.
What is the SMILES notation for 2-[[4-(aminomethyl)pyridazin-3-yl]-butylamino]acetamide?
The canonical SMILES for 2-[[4-(aminomethyl)pyridazin-3-yl]-butylamino]acetamide is CCCCN(CC(N)=O)c1nnccc1CN.
What is the InChIKey of 2-[[4-(aminomethyl)pyridazin-3-yl]-butylamino]acetamide?
The InChIKey is PCTAWFISGDEWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-2-3-6-16(8-10(13)17)11-9(7-12)4-5-14-15-11/h4-5H,2-3,6-8,12H2,1H3,(H2,13,17).
What are the key properties of 2-[[4-(aminomethyl)pyridazin-3-yl]-butylamino]acetamide?
2-[[4-(aminomethyl)pyridazin-3-yl]-butylamino]acetamide has a molecular weight of 237.31 g/mol, XLogP of 0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)pyridazin-3-yl]-butylamino]acetamide is sourced from PubChem (CID 80508966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).