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

C13H15N7OS — CID 56762336

IUPAC3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)CCc2c(C)nn3cnnc3c2C)s1
InChIInChI=1S/C13H15N7OS/c1-7-10(8(2)19-20-6-14-17-12(7)20)4-5-11(21)15-13-18-16-9(3)22-13/h6H,4-5H2,1-3H3,(H,15,18,21)
InChIKeyDHMWWBCPIULQBY-UHFFFAOYSA-N
MW317.38 g/mol
LogP1.47
Rot. Bonds4

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

3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 56762336) has the molecular formula C13H15N7OS and a molecular weight of 317.38 g/mol. Its IUPAC name is 3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-(5-methyl-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-methyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID56762336
Molecular FormulaC13H15N7OS
Molecular Weight317.38 g/mol
Exact Mass317.11
IUPAC Name3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)CCc2c(C)nn3cnnc3c2C)s1
InChIInChI=1S/C13H15N7OS/c1-7-10(8(2)19-20-6-14-17-12(7)20)4-5-11(21)15-13-18-16-9(3)22-13/h6H,4-5H2,1-3H3,(H,15,18,21)
InChIKeyDHMWWBCPIULQBY-UHFFFAOYSA-N
XLogP1.47
TPSA97.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 51.47
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-methyl-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-methyl-1,3,4-thiadiazol-2-yl)propanamide (CID 56762336) is 3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-(5-methyl-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-methyl-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-methyl-1,3,4-thiadiazol-2-yl)propanamide is Cc1nnc(NC(=O)CCc2c(C)nn3cnnc3c2C)s1.
What is the InChIKey of 3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is DHMWWBCPIULQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7OS/c1-7-10(8(2)19-20-6-14-17-12(7)20)4-5-11(21)15-13-18-16-9(3)22-13/h6H,4-5H2,1-3H3,(H,15,18,21).
What are the key properties of 3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 317.38 g/mol, XLogP of 1.47, 4 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-methyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 56762336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).