[6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanamine

C12H13N5OS — CID 4971408

IUPAC[6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanamine
SMILESCOc1ccc(C2=Nn3c(CN)nnc3SC2)cc1
InChIInChI=1S/C12H13N5OS/c1-18-9-4-2-8(3-5-9)10-7-19-12-15-14-11(6-13)17(12)16-10/h2-5H,6-7,13H2,1H3
InChIKeyXHKVSWJABMVRBS-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.10
Rot. Bonds3

About [6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanamine

[6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanamine (PubChem CID 4971408) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is [6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanamine.

Molecular Properties

Compound Name[6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanamine
PubChem CID4971408
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name[6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanamine
SMILESCOc1ccc(C2=Nn3c(CN)nnc3SC2)cc1
InChIInChI=1S/C12H13N5OS/c1-18-9-4-2-8(3-5-9)10-7-19-12-15-14-11(6-13)17(12)16-10/h2-5H,6-7,13H2,1H3
InChIKeyXHKVSWJABMVRBS-UHFFFAOYSA-N
XLogP1.10
TPSA78.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanamine?
The IUPAC name of [6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanamine (CID 4971408) is [6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanamine.
What is the SMILES notation for [6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanamine?
The canonical SMILES for [6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanamine is COc1ccc(C2=Nn3c(CN)nnc3SC2)cc1.
What is the InChIKey of [6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanamine?
The InChIKey is XHKVSWJABMVRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c1-18-9-4-2-8(3-5-9)10-7-19-12-15-14-11(6-13)17(12)16-10/h2-5H,6-7,13H2,1H3.
What are the key properties of [6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanamine?
[6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanamine has a molecular weight of 275.34 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanamine is sourced from PubChem (CID 4971408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).