5-(methoxymethyl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,3,4-thiadiazol-2-amine

C13H16N8OS — CID 126920730

IUPAC5-(methoxymethyl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,3,4-thiadiazol-2-amine
SMILESCOCc1nnc(N(C)C2CN(c3ccc4nncn4n3)C2)s1
InChIInChI=1S/C13H16N8OS/c1-19(13-17-16-12(23-13)7-22-2)9-5-20(6-9)11-4-3-10-15-14-8-21(10)18-11/h3-4,8-9H,5-7H2,1-2H3
InChIKeyDQSNOFWWJCRZFJ-UHFFFAOYSA-N
MW332.39 g/mol
LogP0.45
Rot. Bonds5

About 5-(methoxymethyl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,3,4-thiadiazol-2-amine

5-(methoxymethyl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 126920730) has the molecular formula C13H16N8OS and a molecular weight of 332.39 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(methoxymethyl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,3,4-thiadiazol-2-amine
PubChem CID126920730
Molecular FormulaC13H16N8OS
Molecular Weight332.39 g/mol
Exact Mass332.12
IUPAC Name5-(methoxymethyl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,3,4-thiadiazol-2-amine
SMILESCOCc1nnc(N(C)C2CN(c3ccc4nncn4n3)C2)s1
InChIInChI=1S/C13H16N8OS/c1-19(13-17-16-12(23-13)7-22-2)9-5-20(6-9)11-4-3-10-15-14-8-21(10)18-11/h3-4,8-9H,5-7H2,1-2H3
InChIKeyDQSNOFWWJCRZFJ-UHFFFAOYSA-N
XLogP0.45
TPSA84.57 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-(methoxymethyl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

N,6-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyridazin-3-amine
CID 126920500
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanesulfonamide
CID 126920465
5-fluoro-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrimidin-4-amine
CID 126920737
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920523
N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920667
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 126920482
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920630
N-methyl-N-[(3-methyltriazol-4-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920624
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126918141
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 126920728
N-methyl-N-(1,2,5-oxadiazol-3-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920616
6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 121185358

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(methoxymethyl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,3,4-thiadiazol-2-amine (CID 126920730) is 5-(methoxymethyl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(methoxymethyl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(methoxymethyl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,3,4-thiadiazol-2-amine is COCc1nnc(N(C)C2CN(c3ccc4nncn4n3)C2)s1.
What is the InChIKey of 5-(methoxymethyl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is DQSNOFWWJCRZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N8OS/c1-19(13-17-16-12(23-13)7-22-2)9-5-20(6-9)11-4-3-10-15-14-8-21(10)18-11/h3-4,8-9H,5-7H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,3,4-thiadiazol-2-amine?
5-(methoxymethyl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 332.39 g/mol, XLogP of 0.45, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 126920730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).