1-(6-cyclopropylpyridazin-3-yl)-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylazetidin-3-amine

C16H24N4O2S — CID 126917570

IUPAC1-(6-cyclopropylpyridazin-3-yl)-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylazetidin-3-amine
SMILESCN(CC1CCS(=O)(=O)C1)C1CN(c2ccc(C3CC3)nn2)C1
InChIInChI=1S/C16H24N4O2S/c1-19(8-12-6-7-23(21,22)11-12)14-9-20(10-14)16-5-4-15(17-18-16)13-2-3-13/h4-5,12-14H,2-3,6-11H2,1H3
InChIKeyZEFGZTVOUPEDDF-UHFFFAOYSA-N
MW336.46 g/mol
LogP0.91
Rot. Bonds5

About 1-(6-cyclopropylpyridazin-3-yl)-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylazetidin-3-amine

1-(6-cyclopropylpyridazin-3-yl)-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylazetidin-3-amine (PubChem CID 126917570) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-(6-cyclopropylpyridazin-3-yl)-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylazetidin-3-amine.

Molecular Properties

Compound Name1-(6-cyclopropylpyridazin-3-yl)-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylazetidin-3-amine
PubChem CID126917570
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name1-(6-cyclopropylpyridazin-3-yl)-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylazetidin-3-amine
SMILESCN(CC1CCS(=O)(=O)C1)C1CN(c2ccc(C3CC3)nn2)C1
InChIInChI=1S/C16H24N4O2S/c1-19(8-12-6-7-23(21,22)11-12)14-9-20(10-14)16-5-4-15(17-18-16)13-2-3-13/h4-5,12-14H,2-3,6-11H2,1H3
InChIKeyZEFGZTVOUPEDDF-UHFFFAOYSA-N
XLogP0.91
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(6-cyclopropylpyridazin-3-yl)-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylazetidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-tert-butylpyridazin-3-yl)-N-[(1,1-dioxothian-4-yl)methyl]-N-methylazetidin-3-amine
CID 126918355
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine
CID 126917500
1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[(1,1-dioxothian-4-yl)methyl]-N-methylazetidin-3-amine
CID 126922978
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methylpyrrolidine-1-sulfonamide
CID 126917333
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]azetidin-3-amine
CID 126917379
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-(1,2-thiazol-4-ylmethyl)azetidin-3-amine
CID 126917524
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]azetidin-3-amine
CID 126917480
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-(2-morpholin-4-ylethyl)azetidin-3-amine
CID 126917365
1-[2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]ethyl]pyridin-2-one
CID 126917477
1-cyclopropyl-3-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]pyrrolidin-2-one
CID 126917564
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-amine
CID 126917666
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)azetidin-3-amine
CID 126917510

Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclopropylpyridazin-3-yl)-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylazetidin-3-amine?
The IUPAC name of 1-(6-cyclopropylpyridazin-3-yl)-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylazetidin-3-amine (CID 126917570) is 1-(6-cyclopropylpyridazin-3-yl)-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylazetidin-3-amine.
What is the SMILES notation for 1-(6-cyclopropylpyridazin-3-yl)-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylazetidin-3-amine?
The canonical SMILES for 1-(6-cyclopropylpyridazin-3-yl)-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylazetidin-3-amine is CN(CC1CCS(=O)(=O)C1)C1CN(c2ccc(C3CC3)nn2)C1.
What is the InChIKey of 1-(6-cyclopropylpyridazin-3-yl)-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylazetidin-3-amine?
The InChIKey is ZEFGZTVOUPEDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-19(8-12-6-7-23(21,22)11-12)14-9-20(10-14)16-5-4-15(17-18-16)13-2-3-13/h4-5,12-14H,2-3,6-11H2,1H3.
What are the key properties of 1-(6-cyclopropylpyridazin-3-yl)-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylazetidin-3-amine?
1-(6-cyclopropylpyridazin-3-yl)-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylazetidin-3-amine has a molecular weight of 336.46 g/mol, XLogP of 0.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclopropylpyridazin-3-yl)-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylazetidin-3-amine is sourced from PubChem (CID 126917570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).