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

C14H22N8O — CID 42949565

IUPACN-butan-2-yl-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(c2ccc3nnnn3n2)CC1
InChIInChI=1S/C14H22N8O/c1-3-11(2)15-14(23)10-20-6-8-21(9-7-20)13-5-4-12-16-18-19-22(12)17-13/h4-5,11H,3,6-10H2,1-2H3,(H,15,23)
InChIKeyHFNARCPGFLWSOI-UHFFFAOYSA-N
MW318.38 g/mol
LogP-0.44
Rot. Bonds5

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

N-butan-2-yl-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide (PubChem CID 42949565) has the molecular formula C14H22N8O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide
PubChem CID42949565
Molecular FormulaC14H22N8O
Molecular Weight318.38 g/mol
Exact Mass318.19
IUPAC NameN-butan-2-yl-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(c2ccc3nnnn3n2)CC1
InChIInChI=1S/C14H22N8O/c1-3-11(2)15-14(23)10-20-6-8-21(9-7-20)13-5-4-12-16-18-19-22(12)17-13/h4-5,11H,3,6-10H2,1-2H3,(H,15,23)
InChIKeyHFNARCPGFLWSOI-UHFFFAOYSA-N
XLogP-0.44
TPSA91.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-chlorophenyl)-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide
CID 133418047
N-benzyl-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide
CID 24607580
N-[(1S)-1-cyclopropylethyl]-2-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetamide
CID 95347251
N-[(2S)-butan-2-yl]-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide
CID 95980361
(2S)-4-methyl-2-[[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]pentanoic acid
CID 119361368
2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[(2R)-butan-2-yl]acetamide
CID 51983147
N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 51950205
3-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]pentanamide
CID 86910705
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 91641061
N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 17401834
N-[(2R)-butan-2-yl]-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 36731447
2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide
CID 8902107

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide (CID 42949565) is N-butan-2-yl-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide is CCC(C)NC(=O)CN1CCN(c2ccc3nnnn3n2)CC1.
What is the InChIKey of N-butan-2-yl-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide?
The InChIKey is HFNARCPGFLWSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N8O/c1-3-11(2)15-14(23)10-20-6-8-21(9-7-20)13-5-4-12-16-18-19-22(12)17-13/h4-5,11H,3,6-10H2,1-2H3,(H,15,23).
What are the key properties of N-butan-2-yl-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide?
N-butan-2-yl-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide has a molecular weight of 318.38 g/mol, XLogP of -0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 42949565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).