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

C10H15N5OS — CID 114354921

IUPAC1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-amine
SMILESCC(N)Cc1nn2c(C3CCOC3)nnc2s1
InChIInChI=1S/C10H15N5OS/c1-6(11)4-8-14-15-9(7-2-3-16-5-7)12-13-10(15)17-8/h6-7H,2-5,11H2,1H3
InChIKeyZLGWAUPPYPFDMO-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.58
Rot. Bonds3

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

1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-amine (PubChem CID 114354921) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is 1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-amine
PubChem CID114354921
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC Name1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-amine
SMILESCC(N)Cc1nn2c(C3CCOC3)nnc2s1
InChIInChI=1S/C10H15N5OS/c1-6(11)4-8-14-15-9(7-2-3-16-5-7)12-13-10(15)17-8/h6-7H,2-5,11H2,1H3
InChIKeyZLGWAUPPYPFDMO-UHFFFAOYSA-N
XLogP0.58
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-amine?
The IUPAC name of 1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-amine (CID 114354921) is 1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-amine.
What is the SMILES notation for 1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-amine?
The canonical SMILES for 1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-amine is CC(N)Cc1nn2c(C3CCOC3)nnc2s1.
What is the InChIKey of 1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-amine?
The InChIKey is ZLGWAUPPYPFDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-6(11)4-8-14-15-9(7-2-3-16-5-7)12-13-10(15)17-8/h6-7H,2-5,11H2,1H3.
What are the key properties of 1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-amine?
1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-amine has a molecular weight of 253.33 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-amine is sourced from PubChem (CID 114354921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).