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

C18H23N7O — CID 126921390

IUPACN-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
SMILESCc1nnc2ccc(N3CC(N(C)Cc4noc5c4CCCC5)C3)nn12
InChIInChI=1S/C18H23N7O/c1-12-19-20-17-7-8-18(21-25(12)17)24-9-13(10-24)23(2)11-15-14-5-3-4-6-16(14)26-22-15/h7-8,13H,3-6,9-11H2,1-2H3
InChIKeyJTJBAOLAONVFQL-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.62
Rot. Bonds4

About 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

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 (PubChem CID 126921390) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID126921390
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC NameN-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
SMILESCc1nnc2ccc(N3CC(N(C)Cc4noc5c4CCCC5)C3)nn12
InChIInChI=1S/C18H23N7O/c1-12-19-20-17-7-8-18(21-25(12)17)24-9-13(10-24)23(2)11-15-14-5-3-4-6-16(14)26-22-15/h7-8,13H,3-6,9-11H2,1-2H3
InChIKeyJTJBAOLAONVFQL-UHFFFAOYSA-N
XLogP1.62
TPSA75.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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-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-[(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-(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-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-amine
CID 126921348
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-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126921303
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
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,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
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

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-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)azetidin-3-amine?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nnc2ccc(N3CC(N(C)Cc4noc5c4CCCC5)C3)nn12.
What is the InChIKey of 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?
The InChIKey is JTJBAOLAONVFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-12-19-20-17-7-8-18(21-25(12)17)24-9-13(10-24)23(2)11-15-14-5-3-4-6-16(14)26-22-15/h7-8,13H,3-6,9-11H2,1-2H3.
What are the key properties of N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)azetidin-3-amine?
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 has a molecular weight of 353.43 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 8 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-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)azetidin-3-amine is sourced from PubChem (CID 126921390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).