N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-pyridin-4-ylsulfanylacetamide

C17H19N7OS — CID 134161372

IUPACN-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-pyridin-4-ylsulfanylacetamide
SMILESCc1nnc2ccc(N3CC(N(C)C(=O)CSc4ccncc4)C3)nn12
InChIInChI=1S/C17H19N7OS/c1-12-19-20-15-3-4-16(21-24(12)15)23-9-13(10-23)22(2)17(25)11-26-14-5-7-18-8-6-14/h3-8,13H,9-11H2,1-2H3
InChIKeyAKCANPCMAMFMPD-UHFFFAOYSA-N
MW369.45 g/mol
LogP1.27
Rot. Bonds5

About N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-pyridin-4-ylsulfanylacetamide

N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-pyridin-4-ylsulfanylacetamide (PubChem CID 134161372) has the molecular formula C17H19N7OS and a molecular weight of 369.45 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]-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-pyridin-4-ylsulfanylacetamide
PubChem CID134161372
Molecular FormulaC17H19N7OS
Molecular Weight369.45 g/mol
Exact Mass369.14
IUPAC NameN-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-pyridin-4-ylsulfanylacetamide
SMILESCc1nnc2ccc(N3CC(N(C)C(=O)CSc4ccncc4)C3)nn12
InChIInChI=1S/C17H19N7OS/c1-12-19-20-15-3-4-16(21-24(12)15)23-9-13(10-23)22(2)17(25)11-26-14-5-7-18-8-6-14/h3-8,13H,9-11H2,1-2H3
InChIKeyAKCANPCMAMFMPD-UHFFFAOYSA-N
XLogP1.27
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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]-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-pyridin-4-ylsulfanylacetamide (CID 134161372) is N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-pyridin-4-ylsulfanylacetamide.
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]-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-pyridin-4-ylsulfanylacetamide is Cc1nnc2ccc(N3CC(N(C)C(=O)CSc4ccncc4)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]-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is AKCANPCMAMFMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7OS/c1-12-19-20-15-3-4-16(21-24(12)15)23-9-13(10-23)22(2)17(25)11-26-14-5-7-18-8-6-14/h3-8,13H,9-11H2,1-2H3.
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]-2-pyridin-4-ylsulfanylacetamide?
N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 369.45 g/mol, XLogP of 1.27, 5 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]-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 134161372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).