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

C20H21N7O — CID 126920425

IUPACN-methyl-2-(1-methylindol-3-yl)-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide
SMILESCN(C(=O)Cc1cn(C)c2ccccc12)C1CN(c2ccc3nncn3n2)C1
InChIInChI=1S/C20H21N7O/c1-24-10-14(16-5-3-4-6-17(16)24)9-20(28)25(2)15-11-26(12-15)19-8-7-18-22-21-13-27(18)23-19/h3-8,10,13,15H,9,11-12H2,1-2H3
InChIKeyTXPRTKBNFVEOIQ-UHFFFAOYSA-N
MW375.44 g/mol
LogP1.51
Rot. Bonds4

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

N-methyl-2-(1-methylindol-3-yl)-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide (PubChem CID 126920425) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is N-methyl-2-(1-methylindol-3-yl)-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(1-methylindol-3-yl)-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide
PubChem CID126920425
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC NameN-methyl-2-(1-methylindol-3-yl)-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide
SMILESCN(C(=O)Cc1cn(C)c2ccccc12)C1CN(c2ccc3nncn3n2)C1
InChIInChI=1S/C20H21N7O/c1-24-10-14(16-5-3-4-6-17(16)24)9-20(28)25(2)15-11-26(12-15)19-8-7-18-22-21-13-27(18)23-19/h3-8,10,13,15H,9,11-12H2,1-2H3
InChIKeyTXPRTKBNFVEOIQ-UHFFFAOYSA-N
XLogP1.51
TPSA71.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-N-methyl-2-(1-methylindol-3-yl)acetamide
CID 67395295
N,5-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide
CID 126920414
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanesulfonamide
CID 126920465
N-methyl-2-(1-methylindol-3-yl)acetohydrazide
CID 116844810
N-methyl-N-(1,2,5-oxadiazol-3-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920616
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(1H-indol-3-yl)-N-methylacetamide
CID 126922688
N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920667
N-methyl-N-[(5-methyl-1,2-oxazol-4-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920525
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide
CID 91839562
5-(methoxymethyl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,3,4-thiadiazol-2-amine
CID 126920730
1-[3-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]piperidin-1-yl]ethanone
CID 126920676
5-fluoro-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrimidin-4-amine
CID 126920737

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylindol-3-yl)-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide?
The IUPAC name of N-methyl-2-(1-methylindol-3-yl)-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide (CID 126920425) is N-methyl-2-(1-methylindol-3-yl)-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide.
What is the SMILES notation for N-methyl-2-(1-methylindol-3-yl)-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide?
The canonical SMILES for N-methyl-2-(1-methylindol-3-yl)-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide is CN(C(=O)Cc1cn(C)c2ccccc12)C1CN(c2ccc3nncn3n2)C1.
What is the InChIKey of N-methyl-2-(1-methylindol-3-yl)-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide?
The InChIKey is TXPRTKBNFVEOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-24-10-14(16-5-3-4-6-17(16)24)9-20(28)25(2)15-11-26(12-15)19-8-7-18-22-21-13-27(18)23-19/h3-8,10,13,15H,9,11-12H2,1-2H3.
What are the key properties of N-methyl-2-(1-methylindol-3-yl)-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide?
N-methyl-2-(1-methylindol-3-yl)-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide has a molecular weight of 375.44 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylindol-3-yl)-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide is sourced from PubChem (CID 126920425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).