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

C15H25N5S — CID 114355597

IUPAC6-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)heptan-2-amine
SMILESCC(N)CCCC(C)c1nn2c(C3CCCC3)nnc2s1
InChIInChI=1S/C15H25N5S/c1-10(6-5-7-11(2)16)14-19-20-13(12-8-3-4-9-12)17-18-15(20)21-14/h10-12H,3-9,16H2,1-2H3
InChIKeyAAYOBLLPBVMCBQ-UHFFFAOYSA-N
MW307.47 g/mol
LogP3.46
Rot. Bonds6

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

6-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)heptan-2-amine (PubChem CID 114355597) has the molecular formula C15H25N5S and a molecular weight of 307.47 g/mol. Its IUPAC name is 6-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)heptan-2-amine.

Molecular Properties

Compound Name6-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)heptan-2-amine
PubChem CID114355597
Molecular FormulaC15H25N5S
Molecular Weight307.47 g/mol
Exact Mass307.18
IUPAC Name6-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)heptan-2-amine
SMILESCC(N)CCCC(C)c1nn2c(C3CCCC3)nnc2s1
InChIInChI=1S/C15H25N5S/c1-10(6-5-7-11(2)16)14-19-20-13(12-8-3-4-9-12)17-18-15(20)21-14/h10-12H,3-9,16H2,1-2H3
InChIKeyAAYOBLLPBVMCBQ-UHFFFAOYSA-N
XLogP3.46
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 114355792
3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 114354358
1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
CID 114355882
1-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol
CID 114356350
3-cyclopentyl-6-(diethoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114356311
2-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-methylpentan-1-amine
CID 114355828
2-amino-1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol
CID 114355869
(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-phenylmethanamine
CID 114355644
1-[3-(oxan-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-1-amine
CID 114354845
2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 114354437
3-cyclopentyl-6-(1-pyrazol-1-ylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 56863654
methyl 2-cyclopentyl-2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetate
CID 114352563

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)heptan-2-amine?
The IUPAC name of 6-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)heptan-2-amine (CID 114355597) is 6-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)heptan-2-amine.
What is the SMILES notation for 6-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)heptan-2-amine?
The canonical SMILES for 6-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)heptan-2-amine is CC(N)CCCC(C)c1nn2c(C3CCCC3)nnc2s1.
What is the InChIKey of 6-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)heptan-2-amine?
The InChIKey is AAYOBLLPBVMCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5S/c1-10(6-5-7-11(2)16)14-19-20-13(12-8-3-4-9-12)17-18-15(20)21-14/h10-12H,3-9,16H2,1-2H3.
What are the key properties of 6-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)heptan-2-amine?
6-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)heptan-2-amine has a molecular weight of 307.47 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)heptan-2-amine is sourced from PubChem (CID 114355597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).