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

C21H20N6O2 — CID 95851482

IUPACN-[4-(2-methoxyphenyl)phenyl]-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetamide
SMILESCOc1ccccc1-c1ccc(NC(=O)CNc2ccc3nnc(C)n3n2)cc1
InChIInChI=1S/C21H20N6O2/c1-14-24-25-20-12-11-19(26-27(14)20)22-13-21(28)23-16-9-7-15(8-10-16)17-5-3-4-6-18(17)29-2/h3-12H,13H2,1-2H3,(H,22,26)(H,23,28)
InChIKeyPYIVDSBELMOITQ-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.16
Rot. Bonds6

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

N-[4-(2-methoxyphenyl)phenyl]-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetamide (PubChem CID 95851482) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[4-(2-methoxyphenyl)phenyl]-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenyl)phenyl]-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetamide
PubChem CID95851482
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC NameN-[4-(2-methoxyphenyl)phenyl]-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetamide
SMILESCOc1ccccc1-c1ccc(NC(=O)CNc2ccc3nnc(C)n3n2)cc1
InChIInChI=1S/C21H20N6O2/c1-14-24-25-20-12-11-19(26-27(14)20)22-13-21(28)23-16-9-7-15(8-10-16)17-5-3-4-6-18(17)29-2/h3-12H,13H2,1-2H3,(H,22,26)(H,23,28)
InChIKeyPYIVDSBELMOITQ-UHFFFAOYSA-N
XLogP3.16
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetate
CID 7446930
2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetic acid
CID 4736985
N-(cyclopropylmethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
CID 126473193
N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide
CID 7532341
N-(3,4-difluorophenyl)-2-[[6-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide
CID 40982460
2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-tert-butylphenyl)acetamide
CID 40621304
2-(2-methoxyanilino)-N-(2-phenylphenyl)acetamide
CID 9080600
3-methyl-N-[[2-(4-methylphenoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133295127
2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 4543473
2-(2-methoxyanilino)-N-phenylacetamide
CID 7636827
N-[4-(2-methoxyphenyl)phenyl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
CID 118165762
2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 3167198

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenyl)phenyl]-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetamide?
The IUPAC name of N-[4-(2-methoxyphenyl)phenyl]-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetamide (CID 95851482) is N-[4-(2-methoxyphenyl)phenyl]-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetamide.
What is the SMILES notation for N-[4-(2-methoxyphenyl)phenyl]-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetamide?
The canonical SMILES for N-[4-(2-methoxyphenyl)phenyl]-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetamide is COc1ccccc1-c1ccc(NC(=O)CNc2ccc3nnc(C)n3n2)cc1.
What is the InChIKey of N-[4-(2-methoxyphenyl)phenyl]-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetamide?
The InChIKey is PYIVDSBELMOITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-14-24-25-20-12-11-19(26-27(14)20)22-13-21(28)23-16-9-7-15(8-10-16)17-5-3-4-6-18(17)29-2/h3-12H,13H2,1-2H3,(H,22,26)(H,23,28).
What are the key properties of N-[4-(2-methoxyphenyl)phenyl]-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetamide?
N-[4-(2-methoxyphenyl)phenyl]-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetamide has a molecular weight of 388.43 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenyl)phenyl]-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetamide is sourced from PubChem (CID 95851482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).