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

C14H21N5OS — CID 114355038

IUPAC1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cycloheptan-1-amine
SMILESNC1(c2nn3c(C4CCOC4)nnc3s2)CCCCCC1
InChIInChI=1S/C14H21N5OS/c15-14(6-3-1-2-4-7-14)12-18-19-11(10-5-8-20-9-10)16-17-13(19)21-12/h10H,1-9,15H2
InChIKeyCJSPTDPXTQOJBV-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.20
Rot. Bonds2

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

1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cycloheptan-1-amine (PubChem CID 114355038) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cycloheptan-1-amine
PubChem CID114355038
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cycloheptan-1-amine
SMILESNC1(c2nn3c(C4CCOC4)nnc3s2)CCCCCC1
InChIInChI=1S/C14H21N5OS/c15-14(6-3-1-2-4-7-14)12-18-19-11(10-5-8-20-9-10)16-17-13(19)21-12/h10H,1-9,15H2
InChIKeyCJSPTDPXTQOJBV-UHFFFAOYSA-N
XLogP2.20
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cycloheptan-1-amine 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 1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cycloheptan-1-amine?
The IUPAC name of 1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cycloheptan-1-amine (CID 114355038) is 1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cycloheptan-1-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]cycloheptan-1-amine?
The canonical SMILES for 1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cycloheptan-1-amine is NC1(c2nn3c(C4CCOC4)nnc3s2)CCCCCC1.
What is the InChIKey of 1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cycloheptan-1-amine?
The InChIKey is CJSPTDPXTQOJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c15-14(6-3-1-2-4-7-14)12-18-19-11(10-5-8-20-9-10)16-17-13(19)21-12/h10H,1-9,15H2.
What are the key properties of 1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cycloheptan-1-amine?
1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cycloheptan-1-amine has a molecular weight of 307.42 g/mol, XLogP of 2.20, 2 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]cycloheptan-1-amine is sourced from PubChem (CID 114355038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).