N-(4-chlorophenyl)-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide

C16H17ClN8O — CID 133418047

IUPACN-(4-chlorophenyl)-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccc3nnnn3n2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN8O/c17-12-1-3-13(4-2-12)18-16(26)11-23-7-9-24(10-8-23)15-6-5-14-19-21-22-25(14)20-15/h1-6H,7-11H2,(H,18,26)
InChIKeyKKVXETNRGDYWBJ-UHFFFAOYSA-N
MW372.82 g/mol
LogP0.93
Rot. Bonds4

About N-(4-chlorophenyl)-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide

N-(4-chlorophenyl)-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide (PubChem CID 133418047) has the molecular formula C16H17ClN8O and a molecular weight of 372.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide
PubChem CID133418047
Molecular FormulaC16H17ClN8O
Molecular Weight372.82 g/mol
Exact Mass372.12
IUPAC NameN-(4-chlorophenyl)-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccc3nnnn3n2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN8O/c17-12-1-3-13(4-2-12)18-16(26)11-23-7-9-24(10-8-23)15-6-5-14-19-21-22-25(14)20-15/h1-6H,7-11H2,(H,18,26)
InChIKeyKKVXETNRGDYWBJ-UHFFFAOYSA-N
XLogP0.93
TPSA91.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-butan-2-yl-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide
CID 42949565
N-benzyl-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide
CID 24607580
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide
CID 37406520
2-[4-(5-benzyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide
CID 133451787
N-(4-chlorophenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116557
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 8591262
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 6466210
4-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 8591306
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 2685661
2-[4-[2-(4-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 55735068

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide (CID 133418047) is N-(4-chlorophenyl)-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide is O=C(CN1CCN(c2ccc3nnnn3n2)CC1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide?
The InChIKey is KKVXETNRGDYWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN8O/c17-12-1-3-13(4-2-12)18-16(26)11-23-7-9-24(10-8-23)15-6-5-14-19-21-22-25(14)20-15/h1-6H,7-11H2,(H,18,26).
What are the key properties of N-(4-chlorophenyl)-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide?
N-(4-chlorophenyl)-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide has a molecular weight of 372.82 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 133418047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).