1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidin-3-amine

C16H24N6O — CID 126918267

IUPAC1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidin-3-amine
SMILESCc1nonc1CN(C)C1CN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C16H24N6O/c1-11-13(20-23-19-11)10-21(5)12-8-22(9-12)15-7-6-14(17-18-15)16(2,3)4/h6-7,12H,8-10H2,1-5H3
InChIKeyRTRHXKJPTSXUOU-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.79
Rot. Bonds4

About 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidin-3-amine

1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidin-3-amine (PubChem CID 126918267) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidin-3-amine.

Molecular Properties

Compound Name1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidin-3-amine
PubChem CID126918267
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidin-3-amine
SMILESCc1nonc1CN(C)C1CN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C16H24N6O/c1-11-13(20-23-19-11)10-21(5)12-8-22(9-12)15-7-6-14(17-18-15)16(2,3)4/h6-7,12H,8-10H2,1-5H3
InChIKeyRTRHXKJPTSXUOU-UHFFFAOYSA-N
XLogP1.79
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidin-3-amine
CID 126917480
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
1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-(1,3-oxazol-2-ylmethyl)azetidin-3-amine
CID 126918220
1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]azetidin-3-amine
CID 126918445
1-(6-tert-butylpyridazin-3-yl)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methylazetidin-3-amine
CID 126918170
1-(6-tert-butylpyridazin-3-yl)-N-[(2-cyclopropylpyrimidin-5-yl)methyl]-N-methylazetidin-3-amine
CID 126918251
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,3-dimethylpyrazin-2-amine
CID 126918193
6-[[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrimidin-2-one
CID 126918236
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methylmethanesulfonamide
CID 126918115
1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-amine
CID 126918275
1-(6-tert-butylpyridazin-3-yl)-N-[(1,1-dioxothian-4-yl)methyl]-N-methylazetidin-3-amine
CID 126918355
1-(6-tert-butylpyridazin-3-yl)-N,N-dimethylpiperidin-3-amine
CID 134595806

Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidin-3-amine?
The IUPAC name of 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidin-3-amine (CID 126918267) is 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidin-3-amine.
What is the SMILES notation for 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidin-3-amine?
The canonical SMILES for 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidin-3-amine is Cc1nonc1CN(C)C1CN(c2ccc(C(C)(C)C)nn2)C1.
What is the InChIKey of 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidin-3-amine?
The InChIKey is RTRHXKJPTSXUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-11-13(20-23-19-11)10-21(5)12-8-22(9-12)15-7-6-14(17-18-15)16(2,3)4/h6-7,12H,8-10H2,1-5H3.
What are the key properties of 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidin-3-amine?
1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidin-3-amine has a molecular weight of 316.41 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidin-3-amine is sourced from PubChem (CID 126918267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).