N-(3,5-dimethoxyphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide

C18H21N5O3 — CID 20950279

IUPACN-(3,5-dimethoxyphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide
SMILESCOc1cc(NC(=O)CCc2c(C)nn3cnnc3c2C)cc(OC)c1
InChIInChI=1S/C18H21N5O3/c1-11-16(12(2)22-23-10-19-21-18(11)23)5-6-17(24)20-13-7-14(25-3)9-15(8-13)26-4/h7-10H,5-6H2,1-4H3,(H,20,24)
InChIKeyMTJGDHUHHFTWPK-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.33
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide

N-(3,5-dimethoxyphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide (PubChem CID 20950279) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide
PubChem CID20950279
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC NameN-(3,5-dimethoxyphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide
SMILESCOc1cc(NC(=O)CCc2c(C)nn3cnnc3c2C)cc(OC)c1
InChIInChI=1S/C18H21N5O3/c1-11-16(12(2)22-23-10-19-21-18(11)23)5-6-17(24)20-13-7-14(25-3)9-15(8-13)26-4/h7-10H,5-6H2,1-4H3,(H,20,24)
InChIKeyMTJGDHUHHFTWPK-UHFFFAOYSA-N
XLogP2.33
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanoylamino]benzoate
CID 20950336
3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 46341423
N-(2,5-dimethylphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide
CID 20950301
N-[4-(cyanomethyl)phenyl]-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide
CID 46341445
3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N-pyridin-2-ylpropanamide
CID 56762060
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3,5-dimethoxyphenyl)propanamide
CID 7598664
N-(3,4,5-trimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 17499400
N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)propanamide
CID 51276940
N-(3,5-dimethylphenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide
CID 53009094
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 20863546
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-fluorophenyl)propanamide
CID 20863547
N-(3,4-dimethylphenyl)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanamide
CID 9039927

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide (CID 20950279) is N-(3,5-dimethoxyphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide is COc1cc(NC(=O)CCc2c(C)nn3cnnc3c2C)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide?
The InChIKey is MTJGDHUHHFTWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-11-16(12(2)22-23-10-19-21-18(11)23)5-6-17(24)20-13-7-14(25-3)9-15(8-13)26-4/h7-10H,5-6H2,1-4H3,(H,20,24).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide?
N-(3,5-dimethoxyphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide has a molecular weight of 355.40 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)propanamide is sourced from PubChem (CID 20950279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).