7-(methylamino)-3-(1-methylindol-3-yl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

C14H12N6OS — CID 82554644

IUPAC7-(methylamino)-3-(1-methylindol-3-yl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
SMILESCNc1nn2c(=O)c(-c3cn(C)c4ccccc34)nnc2s1
InChIInChI=1S/C14H12N6OS/c1-15-13-18-20-12(21)11(16-17-14(20)22-13)9-7-19(2)10-6-4-3-5-8(9)10/h3-7H,1-2H3,(H,15,18)
InChIKeyVPKICXQJFJMPCW-UHFFFAOYSA-N
MW312.36 g/mol
LogP1.75
Rot. Bonds2

About 7-(methylamino)-3-(1-methylindol-3-yl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

7-(methylamino)-3-(1-methylindol-3-yl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one (PubChem CID 82554644) has the molecular formula C14H12N6OS and a molecular weight of 312.36 g/mol. Its IUPAC name is 7-(methylamino)-3-(1-methylindol-3-yl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-(methylamino)-3-(1-methylindol-3-yl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
PubChem CID82554644
Molecular FormulaC14H12N6OS
Molecular Weight312.36 g/mol
Exact Mass312.08
IUPAC Name7-(methylamino)-3-(1-methylindol-3-yl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
SMILESCNc1nn2c(=O)c(-c3cn(C)c4ccccc34)nnc2s1
InChIInChI=1S/C14H12N6OS/c1-15-13-18-20-12(21)11(16-17-14(20)22-13)9-7-19(2)10-6-4-3-5-8(9)10/h3-7H,1-2H3,(H,15,18)
InChIKeyVPKICXQJFJMPCW-UHFFFAOYSA-N
XLogP1.75
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-(methylamino)-3-(1-methylindol-3-yl)-[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

N-methyl-4-(1-methylindol-3-yl)pyrimidine-5-carboxamide
CID 162767566
2-amino-4-(1-methylindol-3-yl)-1,3-thiazole-5-carboxylic acid
CID 82306655
N-methyl-3-(1-methylindol-3-yl)-1,2,4-triazin-5-amine
CID 116823912
1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole
CID 141098979
3,4-bis(1-methylindol-3-yl)furan-2,5-dione
CID 14525661
3-[(4-ethoxyphenyl)methyl]-7-(methylamino)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 82554635
3-(1-methylindol-3-yl)-1-pentylquinoxalin-2-one
CID 134852171
2-methoxy-8-methyl-6-(1-methylindol-3-yl)pteridin-7-one
CID 3233427
7-anilino-3-tert-butyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 7303176
5-methyl-4-(1-methylindol-3-yl)thiophen-2-amine
CID 82477886
2-(1-methylindol-3-yl)aniline
CID 138983733
5-methyl-3-(1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 82482196

Frequently Asked Questions

What is the IUPAC name of 7-(methylamino)-3-(1-methylindol-3-yl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The IUPAC name of 7-(methylamino)-3-(1-methylindol-3-yl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one (CID 82554644) is 7-(methylamino)-3-(1-methylindol-3-yl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one.
What is the SMILES notation for 7-(methylamino)-3-(1-methylindol-3-yl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The canonical SMILES for 7-(methylamino)-3-(1-methylindol-3-yl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is CNc1nn2c(=O)c(-c3cn(C)c4ccccc34)nnc2s1.
What is the InChIKey of 7-(methylamino)-3-(1-methylindol-3-yl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The InChIKey is VPKICXQJFJMPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6OS/c1-15-13-18-20-12(21)11(16-17-14(20)22-13)9-7-19(2)10-6-4-3-5-8(9)10/h3-7H,1-2H3,(H,15,18).
What are the key properties of 7-(methylamino)-3-(1-methylindol-3-yl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
7-(methylamino)-3-(1-methylindol-3-yl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one has a molecular weight of 312.36 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methylamino)-3-(1-methylindol-3-yl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is sourced from PubChem (CID 82554644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).