2-[[4-(aminomethyl)pyridazin-3-yl]-propylamino]-N-methylacetamide

C11H19N5O — CID 80509081

IUPAC2-[[4-(aminomethyl)pyridazin-3-yl]-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1nnccc1CN
InChIInChI=1S/C11H19N5O/c1-3-6-16(8-10(17)13-2)11-9(7-12)4-5-14-15-11/h4-5H,3,6-8,12H2,1-2H3,(H,13,17)
InChIKeyIPKTVLACKPSOLS-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.10
Rot. Bonds6

About 2-[[4-(aminomethyl)pyridazin-3-yl]-propylamino]-N-methylacetamide

2-[[4-(aminomethyl)pyridazin-3-yl]-propylamino]-N-methylacetamide (PubChem CID 80509081) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)pyridazin-3-yl]-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[4-(aminomethyl)pyridazin-3-yl]-propylamino]-N-methylacetamide
PubChem CID80509081
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-[[4-(aminomethyl)pyridazin-3-yl]-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1nnccc1CN
InChIInChI=1S/C11H19N5O/c1-3-6-16(8-10(17)13-2)11-9(7-12)4-5-14-15-11/h4-5H,3,6-8,12H2,1-2H3,(H,13,17)
InChIKeyIPKTVLACKPSOLS-UHFFFAOYSA-N
XLogP-0.10
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.10
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]-propylamino]-N-methylacetamide?
The IUPAC name of 2-[[4-(aminomethyl)pyridazin-3-yl]-propylamino]-N-methylacetamide (CID 80509081) is 2-[[4-(aminomethyl)pyridazin-3-yl]-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[4-(aminomethyl)pyridazin-3-yl]-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[[4-(aminomethyl)pyridazin-3-yl]-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)c1nnccc1CN.
What is the InChIKey of 2-[[4-(aminomethyl)pyridazin-3-yl]-propylamino]-N-methylacetamide?
The InChIKey is IPKTVLACKPSOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-3-6-16(8-10(17)13-2)11-9(7-12)4-5-14-15-11/h4-5H,3,6-8,12H2,1-2H3,(H,13,17).
What are the key properties of 2-[[4-(aminomethyl)pyridazin-3-yl]-propylamino]-N-methylacetamide?
2-[[4-(aminomethyl)pyridazin-3-yl]-propylamino]-N-methylacetamide has a molecular weight of 237.31 g/mol, XLogP of -0.10, 6 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]-propylamino]-N-methylacetamide is sourced from PubChem (CID 80509081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).