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

C16H20N8S — CID 126921848

IUPAC1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]azetidin-3-amine
SMILESCc1nnc(CN(C)C2CN(c3ccc4nnc(C5CC5)n4n3)C2)s1
InChIInChI=1S/C16H20N8S/c1-10-17-19-15(25-10)9-22(2)12-7-23(8-12)14-6-5-13-18-20-16(11-3-4-11)24(13)21-14/h5-6,11-12H,3-4,7-9H2,1-2H3
InChIKeyDGABLXPXYCBOKI-UHFFFAOYSA-N
MW356.46 g/mol
LogP1.48
Rot. Bonds5

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

1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]azetidin-3-amine (PubChem CID 126921848) has the molecular formula C16H20N8S and a molecular weight of 356.46 g/mol. Its IUPAC name is 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]azetidin-3-amine.

Molecular Properties

Compound Name1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]azetidin-3-amine
PubChem CID126921848
Molecular FormulaC16H20N8S
Molecular Weight356.46 g/mol
Exact Mass356.15
IUPAC Name1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]azetidin-3-amine
SMILESCc1nnc(CN(C)C2CN(c3ccc4nnc(C5CC5)n4n3)C2)s1
InChIInChI=1S/C16H20N8S/c1-10-17-19-15(25-10)9-22(2)12-7-23(8-12)14-6-5-13-18-20-16(11-3-4-11)24(13)21-14/h5-6,11-12H,3-4,7-9H2,1-2H3
InChIKeyDGABLXPXYCBOKI-UHFFFAOYSA-N
XLogP1.48
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine
CID 126921858
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 126922204
1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)azetidin-3-amine
CID 126921842
1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[(2,5-difluorophenyl)methyl]-N-methylazetidin-3-amine
CID 126921774
N-(cyclobutylmethyl)-1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methylazetidin-3-amine
CID 126922316
6-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrimidin-2-one
CID 126921823
1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]azetidin-3-amine
CID 126922271
1-[3-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]piperidin-1-yl]ethanone
CID 126921884
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 126921798
6-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpiperidin-2-one
CID 126921814
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methylethanesulfonamide
CID 134161090
1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(oxolan-2-ylmethyl)azetidin-3-amine
CID 126922324

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]azetidin-3-amine?
The IUPAC name of 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]azetidin-3-amine (CID 126921848) is 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]azetidin-3-amine.
What is the SMILES notation for 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]azetidin-3-amine?
The canonical SMILES for 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]azetidin-3-amine is Cc1nnc(CN(C)C2CN(c3ccc4nnc(C5CC5)n4n3)C2)s1.
What is the InChIKey of 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]azetidin-3-amine?
The InChIKey is DGABLXPXYCBOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8S/c1-10-17-19-15(25-10)9-22(2)12-7-23(8-12)14-6-5-13-18-20-16(11-3-4-11)24(13)21-14/h5-6,11-12H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]azetidin-3-amine?
1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]azetidin-3-amine has a molecular weight of 356.46 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]azetidin-3-amine is sourced from PubChem (CID 126921848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).