6-[3-(dimethylsulfamoylamino)phenyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine

C18H17N7O2S — CID 7532820

IUPAC6-[3-(dimethylsulfamoylamino)phenyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCN(C)S(=O)(=O)Nc1cccc(-c2ccc3nnc(-c4ccccn4)n3n2)c1
InChIInChI=1S/C18H17N7O2S/c1-24(2)28(26,27)23-14-7-5-6-13(12-14)15-9-10-17-20-21-18(25(17)22-15)16-8-3-4-11-19-16/h3-12,23H,1-2H3
InChIKeyORERAPMKAWSPEY-UHFFFAOYSA-N
MW395.45 g/mol
LogP2.07
Rot. Bonds5

About 6-[3-(dimethylsulfamoylamino)phenyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine

6-[3-(dimethylsulfamoylamino)phenyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 7532820) has the molecular formula C18H17N7O2S and a molecular weight of 395.45 g/mol. Its IUPAC name is 6-[3-(dimethylsulfamoylamino)phenyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[3-(dimethylsulfamoylamino)phenyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID7532820
Molecular FormulaC18H17N7O2S
Molecular Weight395.45 g/mol
Exact Mass395.12
IUPAC Name6-[3-(dimethylsulfamoylamino)phenyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCN(C)S(=O)(=O)Nc1cccc(-c2ccc3nnc(-c4ccccn4)n3n2)c1
InChIInChI=1S/C18H17N7O2S/c1-24(2)28(26,27)23-14-7-5-6-13(12-14)15-9-10-17-20-21-18(25(17)22-15)16-8-3-4-11-19-16/h3-12,23H,1-2H3
InChIKeyORERAPMKAWSPEY-UHFFFAOYSA-N
XLogP2.07
TPSA105.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propane-1-sulfonamide
CID 7524267
4-ethoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873824
4-iodo-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 43971717
2-fluoro-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16829420
2-fluoro-4-methoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873809
2-methyl-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532743
2-ethoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532764
N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide
CID 7532742
8-oxo-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide
CID 16873819
3-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873629
N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]ethanesulfonamide
CID 7524258
3-methoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 16821322

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylsulfamoylamino)phenyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[3-(dimethylsulfamoylamino)phenyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 7532820) is 6-[3-(dimethylsulfamoylamino)phenyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[3-(dimethylsulfamoylamino)phenyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[3-(dimethylsulfamoylamino)phenyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is CN(C)S(=O)(=O)Nc1cccc(-c2ccc3nnc(-c4ccccn4)n3n2)c1.
What is the InChIKey of 6-[3-(dimethylsulfamoylamino)phenyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is ORERAPMKAWSPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2S/c1-24(2)28(26,27)23-14-7-5-6-13(12-14)15-9-10-17-20-21-18(25(17)22-15)16-8-3-4-11-19-16/h3-12,23H,1-2H3.
What are the key properties of 6-[3-(dimethylsulfamoylamino)phenyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
6-[3-(dimethylsulfamoylamino)phenyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 395.45 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylsulfamoylamino)phenyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 7532820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).