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

C21H19N5O — CID 99792576

IUPACN-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-2,2-diphenylacetamide
SMILESCc1ccc2nnc(CNC(=O)C(c3ccccc3)c3ccccc3)n2n1
InChIInChI=1S/C21H19N5O/c1-15-12-13-18-23-24-19(26(18)25-15)14-22-21(27)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,20H,14H2,1H3,(H,22,27)
InChIKeyVJCWOYQPBOXCNV-UHFFFAOYSA-N
MW357.42 g/mol
LogP2.88
Rot. Bonds5

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

N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-2,2-diphenylacetamide (PubChem CID 99792576) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-2,2-diphenylacetamide
PubChem CID99792576
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-2,2-diphenylacetamide
SMILESCc1ccc2nnc(CNC(=O)C(c3ccccc3)c3ccccc3)n2n1
InChIInChI=1S/C21H19N5O/c1-15-12-13-18-23-24-19(26(18)25-15)14-22-21(27)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,20H,14H2,1H3,(H,22,27)
InChIKeyVJCWOYQPBOXCNV-UHFFFAOYSA-N
XLogP2.88
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2-phenylpropanamide
CID 99757799
2,3-dimethyl-2-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]butanoic acid
CID 62875836
(2R)-2-phenoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]propanamide
CID 99757783
2-ethyl-2-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]butanoic acid
CID 62873848
N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,2-diphenylacetamide
CID 7532343
(6-formyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylcarbamic acid
CID 87424565
4-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]aniline
CID 62042167
(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine
CID 62043689
N-[[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2-phenoxyacetamide
CID 91893499
2-methyl-N-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 91818136
N-[(3-methylphenyl)methyl]-2,2-diphenylacetamide
CID 38293786
N-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]phenyl]acetamide
CID 59338939

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-2,2-diphenylacetamide?
The IUPAC name of N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-2,2-diphenylacetamide (CID 99792576) is N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-2,2-diphenylacetamide is Cc1ccc2nnc(CNC(=O)C(c3ccccc3)c3ccccc3)n2n1.
What is the InChIKey of N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-2,2-diphenylacetamide?
The InChIKey is VJCWOYQPBOXCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-15-12-13-18-23-24-19(26(18)25-15)14-22-21(27)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,20H,14H2,1H3,(H,22,27).
What are the key properties of N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-2,2-diphenylacetamide?
N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-2,2-diphenylacetamide has a molecular weight of 357.42 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-2,2-diphenylacetamide is sourced from PubChem (CID 99792576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).