1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine

C17H21N7S — CID 126921858

IUPAC1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine
SMILESCc1ncc(CN(C)C2CN(c3ccc4nnc(C5CC5)n4n3)C2)s1
InChIInChI=1S/C17H21N7S/c1-11-18-7-14(25-11)10-22(2)13-8-23(9-13)16-6-5-15-19-20-17(12-3-4-12)24(15)21-16/h5-7,12-13H,3-4,8-10H2,1-2H3
InChIKeyKZEGLUKJYXTTRC-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.09
Rot. Bonds5

About 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine

1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine (PubChem CID 126921858) has the molecular formula C17H21N7S and a molecular weight of 355.47 g/mol. Its IUPAC name is 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine.

Molecular Properties

Compound Name1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine
PubChem CID126921858
Molecular FormulaC17H21N7S
Molecular Weight355.47 g/mol
Exact Mass355.16
IUPAC Name1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine
SMILESCc1ncc(CN(C)C2CN(c3ccc4nnc(C5CC5)n4n3)C2)s1
InChIInChI=1S/C17H21N7S/c1-11-18-7-14(25-11)10-22(2)13-8-23(9-13)16-6-5-15-19-20-17(12-3-4-12)24(15)21-16/h5-7,12-13H,3-4,8-10H2,1-2H3
InChIKeyKZEGLUKJYXTTRC-UHFFFAOYSA-N
XLogP2.09
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine with MolForge

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Related Compounds

1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]azetidin-3-amine
CID 126921848
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine
CID 126917500
1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)azetidin-3-amine
CID 126921842
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
N-(cyclobutylmethyl)-1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methylazetidin-3-amine
CID 126922316
1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[(2,5-difluorophenyl)methyl]-N-methylazetidin-3-amine
CID 126921774
6-[[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]methyl]-1-methylpyrimidin-2-one
CID 126921823
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 126922204
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920630
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 126921798
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,6-dimethylpyrazin-2-amine
CID 126921801
1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-(oxolan-2-ylmethyl)azetidin-3-amine
CID 126922324

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine?
The IUPAC name of 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine (CID 126921858) is 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine.
What is the SMILES notation for 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine?
The canonical SMILES for 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine is Cc1ncc(CN(C)C2CN(c3ccc4nnc(C5CC5)n4n3)C2)s1.
What is the InChIKey of 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine?
The InChIKey is KZEGLUKJYXTTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7S/c1-11-18-7-14(25-11)10-22(2)13-8-23(9-13)16-6-5-15-19-20-17(12-3-4-12)24(15)21-16/h5-7,12-13H,3-4,8-10H2,1-2H3.
What are the key properties of 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine?
1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine has a molecular weight of 355.47 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine is sourced from PubChem (CID 126921858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).