3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide

C15H19N7OS — CID 56761994

IUPAC3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nn2cnnc2c(C)c1CCC(=O)Nc1nnc(C(C)C)s1
InChIInChI=1S/C15H19N7OS/c1-8(2)14-19-20-15(24-14)17-12(23)6-5-11-9(3)13-18-16-7-22(13)21-10(11)4/h7-8H,5-6H2,1-4H3,(H,17,20,23)
InChIKeyNEBDZBNEFZDWTE-UHFFFAOYSA-N
MW345.43 g/mol
LogP2.29
Rot. Bonds5

About 3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide

3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 56761994) has the molecular formula C15H19N7OS and a molecular weight of 345.43 g/mol. Its IUPAC name is 3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID56761994
Molecular FormulaC15H19N7OS
Molecular Weight345.43 g/mol
Exact Mass345.14
IUPAC Name3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nn2cnnc2c(C)c1CCC(=O)Nc1nnc(C(C)C)s1
InChIInChI=1S/C15H19N7OS/c1-8(2)14-19-20-15(24-14)17-12(23)6-5-11-9(3)13-18-16-7-22(13)21-10(11)4/h7-8H,5-6H2,1-4H3,(H,17,20,23)
InChIKeyNEBDZBNEFZDWTE-UHFFFAOYSA-N
XLogP2.29
TPSA97.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide (CID 56761994) is 3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide is Cc1nn2cnnc2c(C)c1CCC(=O)Nc1nnc(C(C)C)s1.
What is the InChIKey of 3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is NEBDZBNEFZDWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7OS/c1-8(2)14-19-20-15(24-14)17-12(23)6-5-11-9(3)13-18-16-7-22(13)21-10(11)4/h7-8H,5-6H2,1-4H3,(H,17,20,23).
What are the key properties of 3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide?
3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 345.43 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 56761994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).