N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopropanesulfonamide

C19H16N6O2S — CID 121037226

IUPACN-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopropanesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccc3nnc(-c4cccnc4)n3n2)cc1)C1CC1
InChIInChI=1S/C19H16N6O2S/c26-28(27,16-7-8-16)24-15-5-3-13(4-6-15)17-9-10-18-21-22-19(25(18)23-17)14-2-1-11-20-12-14/h1-6,9-12,16,24H,7-8H2
InChIKeyQMTHKVHFBMCXJR-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.76
Rot. Bonds5

About N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopropanesulfonamide

N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopropanesulfonamide (PubChem CID 121037226) has the molecular formula C19H16N6O2S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopropanesulfonamide
PubChem CID121037226
Molecular FormulaC19H16N6O2S
Molecular Weight392.44 g/mol
Exact Mass392.11
IUPAC NameN-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopropanesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccc3nnc(-c4cccnc4)n3n2)cc1)C1CC1
InChIInChI=1S/C19H16N6O2S/c26-28(27,16-7-8-16)24-15-5-3-13(4-6-15)17-9-10-18-21-22-19(25(18)23-17)14-2-1-11-20-12-14/h1-6,9-12,16,24H,7-8H2
InChIKeyQMTHKVHFBMCXJR-UHFFFAOYSA-N
XLogP2.76
TPSA102.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopropanesulfonamide (CID 121037226) is N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopropanesulfonamide is O=S(=O)(Nc1ccc(-c2ccc3nnc(-c4cccnc4)n3n2)cc1)C1CC1.
What is the InChIKey of N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopropanesulfonamide?
The InChIKey is QMTHKVHFBMCXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2S/c26-28(27,16-7-8-16)24-15-5-3-13(4-6-15)17-9-10-18-21-22-19(25(18)23-17)14-2-1-11-20-12-14/h1-6,9-12,16,24H,7-8H2.
What are the key properties of N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopropanesulfonamide?
N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopropanesulfonamide has a molecular weight of 392.44 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 121037226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).