6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine

C16H21N7O2S — CID 168797680

IUPAC6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine
SMILESCc1cc2ncnn2nc1C1CCN(S(=O)(=O)c2cnn(C)c2C)CC1
InChIInChI=1S/C16H21N7O2S/c1-11-8-15-17-10-19-23(15)20-16(11)13-4-6-22(7-5-13)26(24,25)14-9-18-21(3)12(14)2/h8-10,13H,4-7H2,1-3H3
InChIKeyPFVBTYSUBNKEBT-UHFFFAOYSA-N
MW375.46 g/mol
LogP1.04
Rot. Bonds3

About 6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine

6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine (PubChem CID 168797680) has the molecular formula C16H21N7O2S and a molecular weight of 375.46 g/mol. Its IUPAC name is 6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine
PubChem CID168797680
Molecular FormulaC16H21N7O2S
Molecular Weight375.46 g/mol
Exact Mass375.15
IUPAC Name6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine
SMILESCc1cc2ncnn2nc1C1CCN(S(=O)(=O)c2cnn(C)c2C)CC1
InChIInChI=1S/C16H21N7O2S/c1-11-8-15-17-10-19-23(15)20-16(11)13-4-6-22(7-5-13)26(24,25)14-9-18-21(3)12(14)2/h8-10,13H,4-7H2,1-3H3
InChIKeyPFVBTYSUBNKEBT-UHFFFAOYSA-N
XLogP1.04
TPSA98.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 168797626
1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine
CID 19582904
6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 168797619
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(2,2,3,3-tetradeuterio-7-methyl-1,4-benzodioxin-6-yl)piperidine
CID 168797899
7-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6H-1,6-naphthyridin-5-one
CID 92595370
6-[1-(5-chloro-1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-7-methylimidazo[1,2-a]pyridine
CID 168797578
7-methyl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 168798158
1-(2,5-dichlorophenyl)sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 19684902
5-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 124951620
7-chloro-6-[1-(5-methoxy-1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 168797755
7-methyl-6-(1-pyrazolo[1,5-a]pyrimidin-3-ylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 168797888
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
CID 17022437

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine?
The IUPAC name of 6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine (CID 168797680) is 6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine?
The canonical SMILES for 6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine is Cc1cc2ncnn2nc1C1CCN(S(=O)(=O)c2cnn(C)c2C)CC1.
What is the InChIKey of 6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine?
The InChIKey is PFVBTYSUBNKEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O2S/c1-11-8-15-17-10-19-23(15)20-16(11)13-4-6-22(7-5-13)26(24,25)14-9-18-21(3)12(14)2/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine?
6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine has a molecular weight of 375.46 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine is sourced from PubChem (CID 168797680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).