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

C13H17N7S2 — CID 176500086

IUPAC6,7-dimethyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCc1nnc(SCCCNc2c(C)c(C)nn3cnnc23)s1
InChIInChI=1S/C13H17N7S2/c1-8-9(2)19-20-7-15-17-12(20)11(8)14-5-4-6-21-13-18-16-10(3)22-13/h7,14H,4-6H2,1-3H3
InChIKeyHTNPCJGHXQRPTG-UHFFFAOYSA-N
MW335.46 g/mol
LogP2.50
Rot. Bonds6

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

6,7-dimethyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (PubChem CID 176500086) has the molecular formula C13H17N7S2 and a molecular weight of 335.46 g/mol. Its IUPAC name is 6,7-dimethyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.

Molecular Properties

Compound Name6,7-dimethyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
PubChem CID176500086
Molecular FormulaC13H17N7S2
Molecular Weight335.46 g/mol
Exact Mass335.10
IUPAC Name6,7-dimethyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCc1nnc(SCCCNc2c(C)c(C)nn3cnnc23)s1
InChIInChI=1S/C13H17N7S2/c1-8-9(2)19-20-7-15-17-12(20)11(8)14-5-4-6-21-13-18-16-10(3)22-13/h7,14H,4-6H2,1-3H3
InChIKeyHTNPCJGHXQRPTG-UHFFFAOYSA-N
XLogP2.50
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6,7-dimethyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine with MolForge

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Related Compounds

N-(2-methoxyethyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
CID 62577597
6-(methoxymethyl)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrimidin-4-amine
CID 72934920
(2S)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-pyrazol-1-ylpropanamide
CID 126433936
N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine
CID 62577599
N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 61386393
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 46995282
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]thiadiazole-4-carboxamide
CID 46998399
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 72913970
6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-2-amine
CID 64648507
2-hydroxy-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-4-(tetrazol-1-yl)benzamide
CID 131939802
1-methyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 74250558
N',N'-dimethyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethane-1,2-diamine
CID 62577417

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The IUPAC name of 6,7-dimethyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (CID 176500086) is 6,7-dimethyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.
What is the SMILES notation for 6,7-dimethyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The canonical SMILES for 6,7-dimethyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is Cc1nnc(SCCCNc2c(C)c(C)nn3cnnc23)s1.
What is the InChIKey of 6,7-dimethyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The InChIKey is HTNPCJGHXQRPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7S2/c1-8-9(2)19-20-7-15-17-12(20)11(8)14-5-4-6-21-13-18-16-10(3)22-13/h7,14H,4-6H2,1-3H3.
What are the key properties of 6,7-dimethyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
6,7-dimethyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine has a molecular weight of 335.46 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is sourced from PubChem (CID 176500086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).