2-[3-[(6-aminopyridazin-3-yl)methyl]piperidin-1-yl]acetamide

C12H19N5O — CID 110271597

IUPAC2-[3-[(6-aminopyridazin-3-yl)methyl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCCC(Cc2ccc(N)nn2)C1
InChIInChI=1S/C12H19N5O/c13-11-4-3-10(15-16-11)6-9-2-1-5-17(7-9)8-12(14)18/h3-4,9H,1-2,5-8H2,(H2,13,16)(H2,14,18)
InChIKeyAIMPWNNJEFBGOB-UHFFFAOYSA-N
MW249.32 g/mol
LogP-0.20
Rot. Bonds4

About 2-[3-[(6-aminopyridazin-3-yl)methyl]piperidin-1-yl]acetamide

2-[3-[(6-aminopyridazin-3-yl)methyl]piperidin-1-yl]acetamide (PubChem CID 110271597) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-[3-[(6-aminopyridazin-3-yl)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[(6-aminopyridazin-3-yl)methyl]piperidin-1-yl]acetamide
PubChem CID110271597
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-[3-[(6-aminopyridazin-3-yl)methyl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCCC(Cc2ccc(N)nn2)C1
InChIInChI=1S/C12H19N5O/c13-11-4-3-10(15-16-11)6-9-2-1-5-17(7-9)8-12(14)18/h3-4,9H,1-2,5-8H2,(H2,13,16)(H2,14,18)
InChIKeyAIMPWNNJEFBGOB-UHFFFAOYSA-N
XLogP-0.20
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(6-aminopyridazin-3-yl)methyl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[3-[(6-aminopyridazin-3-yl)methyl]piperidin-1-yl]acetamide (CID 110271597) is 2-[3-[(6-aminopyridazin-3-yl)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-[(6-aminopyridazin-3-yl)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[3-[(6-aminopyridazin-3-yl)methyl]piperidin-1-yl]acetamide is NC(=O)CN1CCCC(Cc2ccc(N)nn2)C1.
What is the InChIKey of 2-[3-[(6-aminopyridazin-3-yl)methyl]piperidin-1-yl]acetamide?
The InChIKey is AIMPWNNJEFBGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c13-11-4-3-10(15-16-11)6-9-2-1-5-17(7-9)8-12(14)18/h3-4,9H,1-2,5-8H2,(H2,13,16)(H2,14,18).
What are the key properties of 2-[3-[(6-aminopyridazin-3-yl)methyl]piperidin-1-yl]acetamide?
2-[3-[(6-aminopyridazin-3-yl)methyl]piperidin-1-yl]acetamide has a molecular weight of 249.32 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(6-aminopyridazin-3-yl)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 110271597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).