2-[ethyl-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-N-(3-methoxyphenyl)acetamide

C18H22N6O2 — CID 133424969

IUPAC2-[ethyl-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-N-(3-methoxyphenyl)acetamide
SMILESCCc1nnc2ccc(N(CC)CC(=O)Nc3cccc(OC)c3)nn12
InChIInChI=1S/C18H22N6O2/c1-4-15-20-21-16-9-10-17(22-24(15)16)23(5-2)12-18(25)19-13-7-6-8-14(11-13)26-3/h6-11H,4-5,12H2,1-3H3,(H,19,25)
InChIKeyWPKFDNRGVOPFAM-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.16
Rot. Bonds7

About 2-[ethyl-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-N-(3-methoxyphenyl)acetamide

2-[ethyl-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-N-(3-methoxyphenyl)acetamide (PubChem CID 133424969) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[ethyl-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-N-(3-methoxyphenyl)acetamide
PubChem CID133424969
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name2-[ethyl-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-N-(3-methoxyphenyl)acetamide
SMILESCCc1nnc2ccc(N(CC)CC(=O)Nc3cccc(OC)c3)nn12
InChIInChI=1S/C18H22N6O2/c1-4-15-20-21-16-9-10-17(22-24(15)16)23(5-2)12-18(25)19-13-7-6-8-14(11-13)26-3/h6-11H,4-5,12H2,1-3H3,(H,19,25)
InChIKeyWPKFDNRGVOPFAM-UHFFFAOYSA-N
XLogP2.16
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[ethyl-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-N-(3-methoxyphenyl)acetamide with MolForge

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Related Compounds

2-(N-ethylanilino)-N-(3-methoxyphenyl)acetamide
CID 51159812
2-[(6-cyano-2-pyridinyl)-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 133391636
methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674332
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
2-(N-ethyl-2-nitroanilino)-N-(3-methoxyphenyl)acetamide
CID 7410350
1-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119729055
2-[ethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 47121758
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 43011201
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9026006
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
N-cyclopropyl-2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 34434295
N-(3-methoxyphenyl)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
CID 7190352

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[ethyl-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-N-(3-methoxyphenyl)acetamide (CID 133424969) is 2-[ethyl-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[ethyl-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[ethyl-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-N-(3-methoxyphenyl)acetamide is CCc1nnc2ccc(N(CC)CC(=O)Nc3cccc(OC)c3)nn12.
What is the InChIKey of 2-[ethyl-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is WPKFDNRGVOPFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-4-15-20-21-16-9-10-17(22-24(15)16)23(5-2)12-18(25)19-13-7-6-8-14(11-13)26-3/h6-11H,4-5,12H2,1-3H3,(H,19,25).
What are the key properties of 2-[ethyl-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-N-(3-methoxyphenyl)acetamide?
2-[ethyl-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 354.41 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 133424969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).