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

C14H18N8O — CID 126921343

IUPACN-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
SMILESCc1nonc1CN(C)C1CN(c2ccc3nnc(C)n3n2)C1
InChIInChI=1S/C14H18N8O/c1-9-12(19-23-18-9)8-20(3)11-6-21(7-11)14-5-4-13-16-15-10(2)22(13)17-14/h4-5,11H,6-8H2,1-3H3
InChIKeyOUHOTNZQFISXCY-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.44
Rot. Bonds4

About 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

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 (PubChem CID 126921343) has the molecular formula C14H18N8O and a molecular weight of 314.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID126921343
Molecular FormulaC14H18N8O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC NameN-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
SMILESCc1nonc1CN(C)C1CN(c2ccc3nnc(C)n3n2)C1
InChIInChI=1S/C14H18N8O/c1-9-12(19-23-18-9)8-20(3)11-6-21(7-11)14-5-4-13-16-15-10(2)22(13)17-14/h4-5,11H,6-8H2,1-3H3
InChIKeyOUHOTNZQFISXCY-UHFFFAOYSA-N
XLogP0.44
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 ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)azetidin-3-amine
CID 126921390
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
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidin-3-amine
CID 126917480
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
1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidin-3-amine
CID 126918267
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-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,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-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-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)azetidin-3-amine
CID 126921362

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nonc1CN(C)C1CN(c2ccc3nnc(C)n3n2)C1.
What is the InChIKey of 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?
The InChIKey is OUHOTNZQFISXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8O/c1-9-12(19-23-18-9)8-20(3)11-6-21(7-11)14-5-4-13-16-15-10(2)22(13)17-14/h4-5,11H,6-8H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 314.35 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126921343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).