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

C16H19N7S — CID 126921451

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
SMILESCc1nnc2ccc(N3CC(N(C)c4nc5c(s4)CCC5)C3)nn12
InChIInChI=1S/C16H19N7S/c1-10-18-19-14-6-7-15(20-23(10)14)22-8-11(9-22)21(2)16-17-12-4-3-5-13(12)24-16/h6-7,11H,3-5,8-9H2,1-2H3
InChIKeyATIKSUMFHJJQPX-UHFFFAOYSA-N
MW341.44 g/mol
LogP1.70
Rot. Bonds3

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

N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine (PubChem CID 126921451) has the molecular formula C16H19N7S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
PubChem CID126921451
Molecular FormulaC16H19N7S
Molecular Weight341.44 g/mol
Exact Mass341.14
IUPAC NameN-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
SMILESCc1nnc2ccc(N3CC(N(C)c4nc5c(s4)CCC5)C3)nn12
InChIInChI=1S/C16H19N7S/c1-10-18-19-14-6-7-15(20-23(10)14)22-8-11(9-22)21(2)16-17-12-4-3-5-13(12)24-16/h6-7,11H,3-5,8-9H2,1-2H3
InChIKeyATIKSUMFHJJQPX-UHFFFAOYSA-N
XLogP1.70
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The IUPAC name of N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine (CID 126921451) is N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine.
What is the SMILES notation for N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The canonical SMILES for N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine is Cc1nnc2ccc(N3CC(N(C)c4nc5c(s4)CCC5)C3)nn12.
What is the InChIKey of N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The InChIKey is ATIKSUMFHJJQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7S/c1-10-18-19-14-6-7-15(20-23(10)14)22-8-11(9-22)21(2)16-17-12-4-3-5-13(12)24-16/h6-7,11H,3-5,8-9H2,1-2H3.
What are the key properties of N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine has a molecular weight of 341.44 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine is sourced from PubChem (CID 126921451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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