4-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine

C12H12N6OS — CID 114353068

IUPAC4-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine
SMILESNC1COCC1c1nn2c(-c3cccnc3)nnc2s1
InChIInChI=1S/C12H12N6OS/c13-9-6-19-5-8(9)11-17-18-10(15-16-12(18)20-11)7-2-1-3-14-4-7/h1-4,8-9H,5-6,13H2
InChIKeyXDYYXELOPLNBNU-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.69
Rot. Bonds2

About 4-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine

4-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine (PubChem CID 114353068) has the molecular formula C12H12N6OS and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine.

Molecular Properties

Compound Name4-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine
PubChem CID114353068
Molecular FormulaC12H12N6OS
Molecular Weight288.34 g/mol
Exact Mass288.08
IUPAC Name4-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine
SMILESNC1COCC1c1nn2c(-c3cccnc3)nnc2s1
InChIInChI=1S/C12H12N6OS/c13-9-6-19-5-8(9)11-17-18-10(15-16-12(18)20-11)7-2-1-3-14-4-7/h1-4,8-9H,5-6,13H2
InChIKeyXDYYXELOPLNBNU-UHFFFAOYSA-N
XLogP0.69
TPSA91.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentan-1-amine
CID 114353127
[5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-2-yl]methanamine
CID 114353168
N-methyl-4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine
CID 114353227
5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)thiophen-2-amine
CID 114353053
2-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenol
CID 136991433
6-(4-chlorophenyl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 935976
6-(3,5-dichlorophenyl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 45491583
6-(piperidin-4-ylmethyl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114353074
3,5-dimethyl-4-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2-oxazole
CID 71708446
3-methyl-1-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-2-amine
CID 114353106
3-pyridin-3-yl-6-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114353146
5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-2-amine
CID 114353152

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine?
The IUPAC name of 4-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine (CID 114353068) is 4-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine.
What is the SMILES notation for 4-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine?
The canonical SMILES for 4-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine is NC1COCC1c1nn2c(-c3cccnc3)nnc2s1.
What is the InChIKey of 4-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine?
The InChIKey is XDYYXELOPLNBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6OS/c13-9-6-19-5-8(9)11-17-18-10(15-16-12(18)20-11)7-2-1-3-14-4-7/h1-4,8-9H,5-6,13H2.
What are the key properties of 4-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine?
4-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine has a molecular weight of 288.34 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-3-amine is sourced from PubChem (CID 114353068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).