2-amino-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-ol

C7H11N5OS — CID 130624041

IUPAC2-amino-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-ol
SMILESCc1nnc2sc(C(C)(N)CO)nn12
InChIInChI=1S/C7H11N5OS/c1-4-9-10-6-12(4)11-5(14-6)7(2,8)3-13/h13H,3,8H2,1-2H3
InChIKeyMBKQBWVCOJTXPF-UHFFFAOYSA-N
MW213.27 g/mol
LogP-0.34
Rot. Bonds2

About 2-amino-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-ol

2-amino-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-ol (PubChem CID 130624041) has the molecular formula C7H11N5OS and a molecular weight of 213.27 g/mol. Its IUPAC name is 2-amino-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-ol
PubChem CID130624041
Molecular FormulaC7H11N5OS
Molecular Weight213.27 g/mol
Exact Mass213.07
IUPAC Name2-amino-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-ol
SMILESCc1nnc2sc(C(C)(N)CO)nn12
InChIInChI=1S/C7H11N5OS/c1-4-9-10-6-12(4)11-5(14-6)7(2,8)3-13/h13H,3,8H2,1-2H3
InChIKeyMBKQBWVCOJTXPF-UHFFFAOYSA-N
XLogP-0.34
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-ol 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 2-amino-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-ol?
The IUPAC name of 2-amino-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-ol (CID 130624041) is 2-amino-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-ol.
What is the SMILES notation for 2-amino-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-ol?
The canonical SMILES for 2-amino-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-ol is Cc1nnc2sc(C(C)(N)CO)nn12.
What is the InChIKey of 2-amino-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-ol?
The InChIKey is MBKQBWVCOJTXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5OS/c1-4-9-10-6-12(4)11-5(14-6)7(2,8)3-13/h13H,3,8H2,1-2H3.
What are the key properties of 2-amino-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-ol?
2-amino-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-ol has a molecular weight of 213.27 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-ol is sourced from PubChem (CID 130624041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).