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

C18H24N8O2 — CID 126921348

IUPACN-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-amine
SMILESCc1nnc2ccc(N3CC(N(C)Cc4noc(C5CCOCC5)n4)C3)nn12
InChIInChI=1S/C18H24N8O2/c1-12-20-21-16-3-4-17(22-26(12)16)25-9-14(10-25)24(2)11-15-19-18(28-23-15)13-5-7-27-8-6-13/h3-4,13-14H,5-11H2,1-2H3
InChIKeyIGZREDYALKNZDP-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.03
Rot. Bonds5

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

N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-amine (PubChem CID 126921348) has the molecular formula C18H24N8O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-amine
PubChem CID126921348
Molecular FormulaC18H24N8O2
Molecular Weight384.44 g/mol
Exact Mass384.20
IUPAC NameN-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-amine
SMILESCc1nnc2ccc(N3CC(N(C)Cc4noc(C5CCOCC5)n4)C3)nn12
InChIInChI=1S/C18H24N8O2/c1-12-20-21-16-3-4-17(22-26(12)16)25-9-14(10-25)24(2)11-15-19-18(28-23-15)13-5-7-27-8-6-13/h3-4,13-14H,5-11H2,1-2H3
InChIKeyIGZREDYALKNZDP-UHFFFAOYSA-N
XLogP1.03
TPSA97.71 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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Related Compounds

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126921350
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126921394
N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126921343
N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-amine
CID 126921289
N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)azetidin-3-amine
CID 126921390
N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(pyrimidin-4-ylmethyl)azetidin-3-amine
CID 126921334
1-methyl-1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-3-(oxan-4-yl)urea
CID 126921122
N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)azetidin-3-amine
CID 126921362
N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(2-pyrrolidin-1-ylethyl)azetidin-3-amine
CID 126921226
N-cyclohexyl-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126921223
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-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(oxan-4-ylmethyl)azetidin-3-amine
CID 126922982

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-amine?
The IUPAC name of N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-amine (CID 126921348) is N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-amine.
What is the SMILES notation for N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-amine?
The canonical SMILES for N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-amine is Cc1nnc2ccc(N3CC(N(C)Cc4noc(C5CCOCC5)n4)C3)nn12.
What is the InChIKey of N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-amine?
The InChIKey is IGZREDYALKNZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O2/c1-12-20-21-16-3-4-17(22-26(12)16)25-9-14(10-25)24(2)11-15-19-18(28-23-15)13-5-7-27-8-6-13/h3-4,13-14H,5-11H2,1-2H3.
What are the key properties of N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-amine?
N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-amine has a molecular weight of 384.44 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-amine is sourced from PubChem (CID 126921348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).