N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide

C17H17N5O2 — CID 91839562

IUPACN-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide
SMILESCN(C(=O)COc1ccc2nncn2n1)C1Cc2ccccc2C1
InChIInChI=1S/C17H17N5O2/c1-21(14-8-12-4-2-3-5-13(12)9-14)17(23)10-24-16-7-6-15-19-18-11-22(15)20-16/h2-7,11,14H,8-10H2,1H3
InChIKeyUCWRLTMLSLYDMY-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.13
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide

N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide (PubChem CID 91839562) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide
PubChem CID91839562
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide
SMILESCN(C(=O)COc1ccc2nncn2n1)C1Cc2ccccc2C1
InChIInChI=1S/C17H17N5O2/c1-21(14-8-12-4-2-3-5-13(12)9-14)17(23)10-24-16-7-6-15-19-18-11-22(15)20-16/h2-7,11,14H,8-10H2,1H3
InChIKeyUCWRLTMLSLYDMY-UHFFFAOYSA-N
XLogP1.13
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide
CID 124750452
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide
CID 131905863
1-[2-(2-phenylethyl)piperidin-1-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone
CID 70761103
1-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone
CID 95136428
1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone
CID 91797865
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
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CID 126920427
1-[3-(4-chlorophenyl)piperidin-1-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone
CID 90649407
(1R,5S)-6-propyl-3-[2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133112360
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CID 46810970
3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide
CID 119746208
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CID 91782036

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide (CID 91839562) is N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide is CN(C(=O)COc1ccc2nncn2n1)C1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide?
The InChIKey is UCWRLTMLSLYDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-21(14-8-12-4-2-3-5-13(12)9-14)17(23)10-24-16-7-6-15-19-18-11-22(15)20-16/h2-7,11,14H,8-10H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide?
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide has a molecular weight of 323.36 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide is sourced from PubChem (CID 91839562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).