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

C13H12N6OS — CID 56761742

IUPACN-pyridin-3-yl-3-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)propanamide
SMILESO=C(CCSc1ccc2nncn2n1)Nc1cccnc1
InChIInChI=1S/C13H12N6OS/c20-12(16-10-2-1-6-14-8-10)5-7-21-13-4-3-11-17-15-9-19(11)18-13/h1-4,6,8-9H,5,7H2,(H,16,20)
InChIKeyPSSCDJJLWKJTMA-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.64
Rot. Bonds5

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

N-pyridin-3-yl-3-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)propanamide (PubChem CID 56761742) has the molecular formula C13H12N6OS and a molecular weight of 300.35 g/mol. Its IUPAC name is N-pyridin-3-yl-3-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-pyridin-3-yl-3-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)propanamide
PubChem CID56761742
Molecular FormulaC13H12N6OS
Molecular Weight300.35 g/mol
Exact Mass300.08
IUPAC NameN-pyridin-3-yl-3-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)propanamide
SMILESO=C(CCSc1ccc2nncn2n1)Nc1cccnc1
InChIInChI=1S/C13H12N6OS/c20-12(16-10-2-1-6-14-8-10)5-7-21-13-4-3-11-17-15-9-19(11)18-13/h1-4,6,8-9H,5,7H2,(H,16,20)
InChIKeyPSSCDJJLWKJTMA-UHFFFAOYSA-N
XLogP1.64
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide
CID 51044562
N-(3,4-dichlorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide
CID 71828990
N-[6-[4-oxo-4-(pyridin-3-ylamino)butyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide
CID 42173480
4-(1-methyltetrazol-5-yl)sulfanyl-N-pyridin-3-ylbutanamide
CID 13203384
3-fluoro-N-pyridin-3-yl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidine-3-carboxamide
CID 163344503
4,4-diphenyl-N-pyridin-3-ylbutanamide
CID 11976417
3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide
CID 15943466
1-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-pyridin-3-ylurea
CID 51282892
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
3-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-pyridin-3-ylpropanamide
CID 23973161
3-acetamido-N-pyridin-3-ylpropanamide
CID 91801519
2-(6-oxo-3-phenylpyridazin-1-yl)-N-pyridin-3-ylacetamide
CID 44754046

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-3-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)propanamide?
The IUPAC name of N-pyridin-3-yl-3-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)propanamide (CID 56761742) is N-pyridin-3-yl-3-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)propanamide.
What is the SMILES notation for N-pyridin-3-yl-3-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)propanamide?
The canonical SMILES for N-pyridin-3-yl-3-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)propanamide is O=C(CCSc1ccc2nncn2n1)Nc1cccnc1.
What is the InChIKey of N-pyridin-3-yl-3-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)propanamide?
The InChIKey is PSSCDJJLWKJTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6OS/c20-12(16-10-2-1-6-14-8-10)5-7-21-13-4-3-11-17-15-9-19(11)18-13/h1-4,6,8-9H,5,7H2,(H,16,20).
What are the key properties of N-pyridin-3-yl-3-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)propanamide?
N-pyridin-3-yl-3-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)propanamide has a molecular weight of 300.35 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-3-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)propanamide is sourced from PubChem (CID 56761742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).