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

C15H23N5S — CID 114355508

IUPAC2-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cycloheptan-1-amine
SMILESNC1CCCCCC1c1nn2c(C3CCCC3)nnc2s1
InChIInChI=1S/C15H23N5S/c16-12-9-3-1-2-8-11(12)14-19-20-13(10-6-4-5-7-10)17-18-15(20)21-14/h10-12H,1-9,16H2
InChIKeyIZUQLZAJEJKMTB-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.22
Rot. Bonds2

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

2-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cycloheptan-1-amine (PubChem CID 114355508) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name2-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cycloheptan-1-amine
PubChem CID114355508
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name2-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cycloheptan-1-amine
SMILESNC1CCCCCC1c1nn2c(C3CCCC3)nnc2s1
InChIInChI=1S/C15H23N5S/c16-12-9-3-1-2-8-11(12)14-19-20-13(10-6-4-5-7-10)17-18-15(20)21-14/h10-12H,1-9,16H2
InChIKeyIZUQLZAJEJKMTB-UHFFFAOYSA-N
XLogP3.22
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cycloheptan-1-amine?
The IUPAC name of 2-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cycloheptan-1-amine (CID 114355508) is 2-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cycloheptan-1-amine.
What is the SMILES notation for 2-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cycloheptan-1-amine?
The canonical SMILES for 2-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cycloheptan-1-amine is NC1CCCCCC1c1nn2c(C3CCCC3)nnc2s1.
What is the InChIKey of 2-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cycloheptan-1-amine?
The InChIKey is IZUQLZAJEJKMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c16-12-9-3-1-2-8-11(12)14-19-20-13(10-6-4-5-7-10)17-18-15(20)21-14/h10-12H,1-9,16H2.
What are the key properties of 2-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cycloheptan-1-amine?
2-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cycloheptan-1-amine has a molecular weight of 305.45 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cycloheptan-1-amine is sourced from PubChem (CID 114355508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).