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

C14H18N8O — CID 126921345

IUPACN-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[1-(1,2,4-oxadiazol-5-yl)ethyl]azetidin-3-amine
SMILESCc1nnc2ccc(N3CC(N(C)C(C)c4ncno4)C3)nn12
InChIInChI=1S/C14H18N8O/c1-9(14-15-8-16-23-14)20(3)11-6-21(7-11)13-5-4-12-18-17-10(2)22(12)19-13/h4-5,8-9,11H,6-7H2,1-3H3
InChIKeyCSANRZPLBSZMLH-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.70
Rot. Bonds4

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

N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[1-(1,2,4-oxadiazol-5-yl)ethyl]azetidin-3-amine (PubChem CID 126921345) has the molecular formula C14H18N8O and a molecular weight of 314.35 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[1-(1,2,4-oxadiazol-5-yl)ethyl]azetidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[1-(1,2,4-oxadiazol-5-yl)ethyl]azetidin-3-amine
PubChem CID126921345
Molecular FormulaC14H18N8O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC NameN-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[1-(1,2,4-oxadiazol-5-yl)ethyl]azetidin-3-amine
SMILESCc1nnc2ccc(N3CC(N(C)C(C)c4ncno4)C3)nn12
InChIInChI=1S/C14H18N8O/c1-9(14-15-8-16-23-14)20(3)11-6-21(7-11)13-5-4-12-18-17-10(2)22(12)19-13/h4-5,8-9,11H,6-7H2,1-3H3
InChIKeyCSANRZPLBSZMLH-UHFFFAOYSA-N
XLogP0.70
TPSA88.48 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[1-(1,2,4-oxadiazol-5-yl)ethyl]azetidin-3-amine
CID 126917482
N,3-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126921210
N-cyclohexyl-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126921223
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-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(pyrimidin-4-ylmethyl)azetidin-3-amine
CID 126921334
N,6-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyridazin-3-amine
CID 126921215
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-[(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-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(2-pyrrolidin-1-ylethyl)azetidin-3-amine
CID 126921226
N,5,6-trimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 126921212
N,4-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,3-thiazol-2-amine
CID 126921508
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

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-[1-(1,2,4-oxadiazol-5-yl)ethyl]azetidin-3-amine?
The IUPAC name of N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[1-(1,2,4-oxadiazol-5-yl)ethyl]azetidin-3-amine (CID 126921345) is N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[1-(1,2,4-oxadiazol-5-yl)ethyl]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-[1-(1,2,4-oxadiazol-5-yl)ethyl]azetidin-3-amine?
The canonical SMILES for N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[1-(1,2,4-oxadiazol-5-yl)ethyl]azetidin-3-amine is Cc1nnc2ccc(N3CC(N(C)C(C)c4ncno4)C3)nn12.
What is the InChIKey of N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[1-(1,2,4-oxadiazol-5-yl)ethyl]azetidin-3-amine?
The InChIKey is CSANRZPLBSZMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8O/c1-9(14-15-8-16-23-14)20(3)11-6-21(7-11)13-5-4-12-18-17-10(2)22(12)19-13/h4-5,8-9,11H,6-7H2,1-3H3.
What are the key properties of N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[1-(1,2,4-oxadiazol-5-yl)ethyl]azetidin-3-amine?
N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[1-(1,2,4-oxadiazol-5-yl)ethyl]azetidin-3-amine has a molecular weight of 314.35 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 9 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-[1-(1,2,4-oxadiazol-5-yl)ethyl]azetidin-3-amine is sourced from PubChem (CID 126921345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).