1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-(1,3-oxazol-2-ylmethyl)azetidin-3-amine

C16H23N5O — CID 126918220

IUPAC1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-(1,3-oxazol-2-ylmethyl)azetidin-3-amine
SMILESCN(Cc1ncco1)C1CN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C16H23N5O/c1-16(2,3)13-5-6-14(19-18-13)21-9-12(10-21)20(4)11-15-17-7-8-22-15/h5-8,12H,9-11H2,1-4H3
InChIKeyATNYANSQAUTQLZ-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.08
Rot. Bonds4

About 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-(1,3-oxazol-2-ylmethyl)azetidin-3-amine

1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-(1,3-oxazol-2-ylmethyl)azetidin-3-amine (PubChem CID 126918220) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-(1,3-oxazol-2-ylmethyl)azetidin-3-amine.

Molecular Properties

Compound Name1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-(1,3-oxazol-2-ylmethyl)azetidin-3-amine
PubChem CID126918220
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-(1,3-oxazol-2-ylmethyl)azetidin-3-amine
SMILESCN(Cc1ncco1)C1CN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C16H23N5O/c1-16(2,3)13-5-6-14(19-18-13)21-9-12(10-21)20(4)11-15-17-7-8-22-15/h5-8,12H,9-11H2,1-4H3
InChIKeyATNYANSQAUTQLZ-UHFFFAOYSA-N
XLogP2.08
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrimidin-2-one
CID 126918236
1-(6-tert-butylpyridazin-3-yl)-N-[(2-cyclopropylpyrimidin-5-yl)methyl]-N-methylazetidin-3-amine
CID 126918251
1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidin-3-amine
CID 126918267
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-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methylazetidin-3-amine
CID 126918170
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,3-dimethylpyrazin-2-amine
CID 126918193
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
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methylmethanesulfonamide
CID 126918115
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 126918387
1-(6-tert-butylpyridazin-3-yl)-N-[(1,1-dioxothian-4-yl)methyl]-N-methylazetidin-3-amine
CID 126918355
5-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile
CID 126918390
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-(1,3-oxazol-2-ylmethyl)azetidin-3-amine?
The IUPAC name of 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-(1,3-oxazol-2-ylmethyl)azetidin-3-amine (CID 126918220) is 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-(1,3-oxazol-2-ylmethyl)azetidin-3-amine.
What is the SMILES notation for 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-(1,3-oxazol-2-ylmethyl)azetidin-3-amine?
The canonical SMILES for 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-(1,3-oxazol-2-ylmethyl)azetidin-3-amine is CN(Cc1ncco1)C1CN(c2ccc(C(C)(C)C)nn2)C1.
What is the InChIKey of 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-(1,3-oxazol-2-ylmethyl)azetidin-3-amine?
The InChIKey is ATNYANSQAUTQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-16(2,3)13-5-6-14(19-18-13)21-9-12(10-21)20(4)11-15-17-7-8-22-15/h5-8,12H,9-11H2,1-4H3.
What are the key properties of 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-(1,3-oxazol-2-ylmethyl)azetidin-3-amine?
1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-(1,3-oxazol-2-ylmethyl)azetidin-3-amine has a molecular weight of 301.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-(1,3-oxazol-2-ylmethyl)azetidin-3-amine is sourced from PubChem (CID 126918220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).