N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

C15H23N7O2S — CID 91641061

IUPACN-(1-hydroxy-4-methylsulfanylbutan-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCSCCC(CO)NC(=O)C1CCN(c2ccc3nnnn3n2)CC1
InChIInChI=1S/C15H23N7O2S/c1-25-9-6-12(10-23)16-15(24)11-4-7-21(8-5-11)14-3-2-13-17-19-20-22(13)18-14/h2-3,11-12,23H,4-10H2,1H3,(H,16,24)
InChIKeyQYPHTCCRDHLJEF-UHFFFAOYSA-N
MW365.46 g/mol
LogP-0.03
Rot. Bonds7

About N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 91641061) has the molecular formula C15H23N7O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylsulfanylbutan-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
PubChem CID91641061
Molecular FormulaC15H23N7O2S
Molecular Weight365.46 g/mol
Exact Mass365.16
IUPAC NameN-(1-hydroxy-4-methylsulfanylbutan-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCSCCC(CO)NC(=O)C1CCN(c2ccc3nnnn3n2)CC1
InChIInChI=1S/C15H23N7O2S/c1-25-9-6-12(10-23)16-15(24)11-4-7-21(8-5-11)14-3-2-13-17-19-20-22(13)18-14/h2-3,11-12,23H,4-10H2,1H3,(H,16,24)
InChIKeyQYPHTCCRDHLJEF-UHFFFAOYSA-N
XLogP-0.03
TPSA108.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

(2S)-4-methyl-2-[[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]pentanoic acid
CID 119361368
N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 51950205
N-[(4-tert-butylphenyl)methyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 166198550
4-methyl-2-[[[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]methyl]pentanoic acid
CID 119253367
N-[2-(difluoromethylsulfanyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 30748614
N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 32842579
1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
CID 24666682
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 24665519
1-(tetrazolo[1,5-b]pyridazin-6-yl)-N-(2-thiophen-2-ylpropan-2-yl)piperidine-4-carboxamide
CID 136526259
N-(1-benzofuran-2-ylmethyl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 87001291
N-butyl-N-ethyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 78846036
6-[4-(3-methylbutyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 133380765

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 91641061) is N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is CSCCC(CO)NC(=O)C1CCN(c2ccc3nnnn3n2)CC1.
What is the InChIKey of N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The InChIKey is QYPHTCCRDHLJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O2S/c1-25-9-6-12(10-23)16-15(24)11-4-7-21(8-5-11)14-3-2-13-17-19-20-22(13)18-14/h2-3,11-12,23H,4-10H2,1H3,(H,16,24).
What are the key properties of N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 365.46 g/mol, XLogP of -0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 91641061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).