3-(4-methoxyanilino)-7-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

C12H11N5O2S — CID 35025033

IUPAC3-(4-methoxyanilino)-7-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
SMILESCOc1ccc(Nc2nnc3sc(C)nn3c2=O)cc1
InChIInChI=1S/C12H11N5O2S/c1-7-16-17-11(18)10(14-15-12(17)20-7)13-8-3-5-9(19-2)6-4-8/h3-6H,1-2H3,(H,13,14)
InChIKeySLUSMDNNOUPXFE-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.61
Rot. Bonds3

About 3-(4-methoxyanilino)-7-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

3-(4-methoxyanilino)-7-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one (PubChem CID 35025033) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 3-(4-methoxyanilino)-7-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-(4-methoxyanilino)-7-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
PubChem CID35025033
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC Name3-(4-methoxyanilino)-7-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
SMILESCOc1ccc(Nc2nnc3sc(C)nn3c2=O)cc1
InChIInChI=1S/C12H11N5O2S/c1-7-16-17-11(18)10(14-15-12(17)20-7)13-8-3-5-9(19-2)6-4-8/h3-6H,1-2H3,(H,13,14)
InChIKeySLUSMDNNOUPXFE-UHFFFAOYSA-N
XLogP1.61
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(4-methoxyanilino)-7-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 6626180
N-(4-methoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151763
4-[[6-(4-methoxyanilino)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]phenol
CID 59339164
3-benzhydryl-N-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 18874614
5-(4-methoxyanilino)-12,14-dioxa-4-thia-2,6,7-triazatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,5,9,11(15)-pentaen-8-one
CID 27443539
4-amino-3-benzylsulfanyl-6-(4-methoxyanilino)-1,2,4-triazin-5-one
CID 35755183
7-[(2-amino-2-methylpropyl)amino]-2-(4-methoxyanilino)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 16743448
N-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
CID 22432672
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-methoxybenzenesulfonamide
CID 53163237
3-(4-methoxyanilino)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 17035497
7-(3-aminopropyl)-3-(4-methoxyphenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 82554843
cyclopropane;[4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]phenyl]carbamic acid
CID 67549528

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyanilino)-7-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The IUPAC name of 3-(4-methoxyanilino)-7-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one (CID 35025033) is 3-(4-methoxyanilino)-7-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one.
What is the SMILES notation for 3-(4-methoxyanilino)-7-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The canonical SMILES for 3-(4-methoxyanilino)-7-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is COc1ccc(Nc2nnc3sc(C)nn3c2=O)cc1.
What is the InChIKey of 3-(4-methoxyanilino)-7-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The InChIKey is SLUSMDNNOUPXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c1-7-16-17-11(18)10(14-15-12(17)20-7)13-8-3-5-9(19-2)6-4-8/h3-6H,1-2H3,(H,13,14).
What are the key properties of 3-(4-methoxyanilino)-7-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
3-(4-methoxyanilino)-7-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one has a molecular weight of 289.32 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyanilino)-7-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is sourced from PubChem (CID 35025033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).