6-(4-methylanilino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C12H11N5O — CID 166634589

IUPAC6-(4-methylanilino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCc1ccc(Nc2ccc3n[nH]c(=O)n3n2)cc1
InChIInChI=1S/C12H11N5O/c1-8-2-4-9(5-3-8)13-10-6-7-11-14-15-12(18)17(11)16-10/h2-7H,1H3,(H,13,16)(H,15,18)
InChIKeyMEFXIURPDMKVGT-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.47
Rot. Bonds2

About 6-(4-methylanilino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-(4-methylanilino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 166634589) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 6-(4-methylanilino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-methylanilino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID166634589
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name6-(4-methylanilino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCc1ccc(Nc2ccc3n[nH]c(=O)n3n2)cc1
InChIInChI=1S/C12H11N5O/c1-8-2-4-9(5-3-8)13-10-6-7-11-14-15-12(18)17(11)16-10/h2-7H,1H3,(H,13,16)(H,15,18)
InChIKeyMEFXIURPDMKVGT-UHFFFAOYSA-N
XLogP1.47
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl[1,2,4]triazolo[4,3-a]quinolin-1(2h)-one
CID 9815578
4-(4-isopropylphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 3845232
1-Phenylethanone N-phenylsemicarbazone
CID 9584792
1,2-Dihydro-2,5-(diphenyl)-3H-1,2,4-triazol-3-one
CID 135538597
6-(N,4-dimethylanilino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 166632164
N-[4-[(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl]acetamide
CID 6905027
5-((2-Ethylphenyl)amino)-6-methyl-1,2,4-triazin-3-ol
CID 2792515
[1,2,4]Triazolo[4,3-a]quinolin-1(2H)-one
CID 170518
6-Methyl-5-[(4-Propan-2-Ylphenyl)amino]-2~{h}-1,2,4-Triazin-3-One
CID 4074449
4-[4-(tert-butyl)phenyl]-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 1487781
5-methyl-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 3519473
5-methyl-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 390138

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylanilino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(4-methylanilino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 166634589) is 6-(4-methylanilino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(4-methylanilino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(4-methylanilino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is Cc1ccc(Nc2ccc3n[nH]c(=O)n3n2)cc1.
What is the InChIKey of 6-(4-methylanilino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is MEFXIURPDMKVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-8-2-4-9(5-3-8)13-10-6-7-11-14-15-12(18)17(11)16-10/h2-7H,1H3,(H,13,16)(H,15,18).
What are the key properties of 6-(4-methylanilino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(4-methylanilino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 241.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylanilino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 166634589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).