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

C9H15N5O — CID 103101216

IUPAC2-[[4-(aminomethyl)pyridazin-3-yl]-ethylamino]acetamide
SMILESCCN(CC(N)=O)c1nnccc1CN
InChIInChI=1S/C9H15N5O/c1-2-14(6-8(11)15)9-7(5-10)3-4-12-13-9/h3-4H,2,5-6,10H2,1H3,(H2,11,15)
InChIKeyHEENWGOAICHLPC-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.75
Rot. Bonds5

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

2-[[4-(aminomethyl)pyridazin-3-yl]-ethylamino]acetamide (PubChem CID 103101216) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)pyridazin-3-yl]-ethylamino]acetamide.

Molecular Properties

Compound Name2-[[4-(aminomethyl)pyridazin-3-yl]-ethylamino]acetamide
PubChem CID103101216
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name2-[[4-(aminomethyl)pyridazin-3-yl]-ethylamino]acetamide
SMILESCCN(CC(N)=O)c1nnccc1CN
InChIInChI=1S/C9H15N5O/c1-2-14(6-8(11)15)9-7(5-10)3-4-12-13-9/h3-4H,2,5-6,10H2,1H3,(H2,11,15)
InChIKeyHEENWGOAICHLPC-UHFFFAOYSA-N
XLogP-0.75
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)pyridazin-3-yl]-ethylamino]acetamide?
The IUPAC name of 2-[[4-(aminomethyl)pyridazin-3-yl]-ethylamino]acetamide (CID 103101216) is 2-[[4-(aminomethyl)pyridazin-3-yl]-ethylamino]acetamide.
What is the SMILES notation for 2-[[4-(aminomethyl)pyridazin-3-yl]-ethylamino]acetamide?
The canonical SMILES for 2-[[4-(aminomethyl)pyridazin-3-yl]-ethylamino]acetamide is CCN(CC(N)=O)c1nnccc1CN.
What is the InChIKey of 2-[[4-(aminomethyl)pyridazin-3-yl]-ethylamino]acetamide?
The InChIKey is HEENWGOAICHLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-2-14(6-8(11)15)9-7(5-10)3-4-12-13-9/h3-4H,2,5-6,10H2,1H3,(H2,11,15).
What are the key properties of 2-[[4-(aminomethyl)pyridazin-3-yl]-ethylamino]acetamide?
2-[[4-(aminomethyl)pyridazin-3-yl]-ethylamino]acetamide has a molecular weight of 209.25 g/mol, XLogP of -0.75, 5 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]-ethylamino]acetamide is sourced from PubChem (CID 103101216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).