2-piperazin-1-yl-N-(pyridazin-3-ylmethyl)acetamide

C11H17N5O — CID 106896052

IUPAC2-piperazin-1-yl-N-(pyridazin-3-ylmethyl)acetamide
SMILESO=C(CN1CCNCC1)NCc1cccnn1
InChIInChI=1S/C11H17N5O/c17-11(9-16-6-4-12-5-7-16)13-8-10-2-1-3-14-15-10/h1-3,12H,4-9H2,(H,13,17)
InChIKeyCKXOUSHCQGYRGZ-UHFFFAOYSA-N
MW235.29 g/mol
LogP-1.00
Rot. Bonds4

About 2-piperazin-1-yl-N-(pyridazin-3-ylmethyl)acetamide

2-piperazin-1-yl-N-(pyridazin-3-ylmethyl)acetamide (PubChem CID 106896052) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-piperazin-1-yl-N-(pyridazin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-piperazin-1-yl-N-(pyridazin-3-ylmethyl)acetamide
PubChem CID106896052
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-piperazin-1-yl-N-(pyridazin-3-ylmethyl)acetamide
SMILESO=C(CN1CCNCC1)NCc1cccnn1
InChIInChI=1S/C11H17N5O/c17-11(9-16-6-4-12-5-7-16)13-8-10-2-1-3-14-15-10/h1-3,12H,4-9H2,(H,13,17)
InChIKeyCKXOUSHCQGYRGZ-UHFFFAOYSA-N
XLogP-1.00
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-piperazin-1-yl-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 61283155
2-chloro-N-(pyridazin-3-ylmethyl)acetamide
CID 106895472
2-(1,4-diazepan-1-yl)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64530362
2-(1,4-diazepan-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81171334
2-(ethylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896183
2-(propylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896058
N-(phenanthridin-6-ylmethyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide
CID 90006117
2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)acetamide
CID 54943649
2-(prop-2-enylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896069
2-(tert-butylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106834522
2-(2-aminophenyl)-N-(pyridazin-3-ylmethyl)acetamide
CID 106894537
N-[(2-methoxy-4-pyridinyl)methyl]-2-piperazin-1-ylacetamide
CID 62995583

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-N-(pyridazin-3-ylmethyl)acetamide?
The IUPAC name of 2-piperazin-1-yl-N-(pyridazin-3-ylmethyl)acetamide (CID 106896052) is 2-piperazin-1-yl-N-(pyridazin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-piperazin-1-yl-N-(pyridazin-3-ylmethyl)acetamide?
The canonical SMILES for 2-piperazin-1-yl-N-(pyridazin-3-ylmethyl)acetamide is O=C(CN1CCNCC1)NCc1cccnn1.
What is the InChIKey of 2-piperazin-1-yl-N-(pyridazin-3-ylmethyl)acetamide?
The InChIKey is CKXOUSHCQGYRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c17-11(9-16-6-4-12-5-7-16)13-8-10-2-1-3-14-15-10/h1-3,12H,4-9H2,(H,13,17).
What are the key properties of 2-piperazin-1-yl-N-(pyridazin-3-ylmethyl)acetamide?
2-piperazin-1-yl-N-(pyridazin-3-ylmethyl)acetamide has a molecular weight of 235.29 g/mol, XLogP of -1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-N-(pyridazin-3-ylmethyl)acetamide is sourced from PubChem (CID 106896052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).