5-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-pyrazol-3-amine

C10H11N7OS — CID 114354956

IUPAC5-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2nn3c(C4CCOC4)nnc3s2)[nH]n1
InChIInChI=1S/C10H11N7OS/c11-7-3-6(12-13-7)9-16-17-8(5-1-2-18-4-5)14-15-10(17)19-9/h3,5H,1-2,4H2,(H3,11,12,13)
InChIKeyMGMDIHZGNVPGKF-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.66
Rot. Bonds2

About 5-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-pyrazol-3-amine

5-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-pyrazol-3-amine (PubChem CID 114354956) has the molecular formula C10H11N7OS and a molecular weight of 277.31 g/mol. Its IUPAC name is 5-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-pyrazol-3-amine
PubChem CID114354956
Molecular FormulaC10H11N7OS
Molecular Weight277.31 g/mol
Exact Mass277.07
IUPAC Name5-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2nn3c(C4CCOC4)nnc3s2)[nH]n1
InChIInChI=1S/C10H11N7OS/c11-7-3-6(12-13-7)9-16-17-8(5-1-2-18-4-5)14-15-10(17)19-9/h3,5H,1-2,4H2,(H3,11,12,13)
InChIKeyMGMDIHZGNVPGKF-UHFFFAOYSA-N
XLogP0.66
TPSA107.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-1,2,4-triazol-3-amine
CID 114354942
1-[4-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-thiazol-2-yl]ethanamine
CID 114354991
4-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,3-thiazol-2-amine
CID 114354824
5-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-pyrazol-3-amine
CID 114353204
[1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopropyl]methanamine
CID 114355051
4-[[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]aniline
CID 114355000
1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cycloheptan-1-amine
CID 114355038
1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-amine
CID 114354921
5-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-1,2,4-triazol-3-amine
CID 114355459
[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-thiophen-2-ylmethanamine
CID 114354995
2-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-2-amine
CID 114355066
1-[[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]cyclobutan-1-amine
CID 114355115

Frequently Asked Questions

What is the IUPAC name of 5-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-pyrazol-3-amine (CID 114354956) is 5-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-pyrazol-3-amine is Nc1cc(-c2nn3c(C4CCOC4)nnc3s2)[nH]n1.
What is the InChIKey of 5-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-pyrazol-3-amine?
The InChIKey is MGMDIHZGNVPGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7OS/c11-7-3-6(12-13-7)9-16-17-8(5-1-2-18-4-5)14-15-10(17)19-9/h3,5H,1-2,4H2,(H3,11,12,13).
What are the key properties of 5-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-pyrazol-3-amine?
5-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-pyrazol-3-amine has a molecular weight of 277.31 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 114354956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).