4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5-methyl-1,2,4-triazol-3-amine

C12H19N7S — CID 126823647

IUPAC4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5-methyl-1,2,4-triazol-3-amine
SMILESCCc1nsc(N2CCC(n3c(C)nnc3N)CC2)n1
InChIInChI=1S/C12H19N7S/c1-3-10-14-12(20-17-10)18-6-4-9(5-7-18)19-8(2)15-16-11(19)13/h9H,3-7H2,1-2H3,(H2,13,16)
InChIKeyFNIJEUWUKDOJPQ-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.42
Rot. Bonds3

About 4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5-methyl-1,2,4-triazol-3-amine

4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5-methyl-1,2,4-triazol-3-amine (PubChem CID 126823647) has the molecular formula C12H19N7S and a molecular weight of 293.40 g/mol. Its IUPAC name is 4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5-methyl-1,2,4-triazol-3-amine
PubChem CID126823647
Molecular FormulaC12H19N7S
Molecular Weight293.40 g/mol
Exact Mass293.14
IUPAC Name4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5-methyl-1,2,4-triazol-3-amine
SMILESCCc1nsc(N2CCC(n3c(C)nnc3N)CC2)n1
InChIInChI=1S/C12H19N7S/c1-3-10-14-12(20-17-10)18-6-4-9(5-7-18)19-8(2)15-16-11(19)13/h9H,3-7H2,1-2H3,(H2,13,16)
InChIKeyFNIJEUWUKDOJPQ-UHFFFAOYSA-N
XLogP1.42
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5-methyl-1,2,4-triazol-3-amine (CID 126823647) is 4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5-methyl-1,2,4-triazol-3-amine is CCc1nsc(N2CCC(n3c(C)nnc3N)CC2)n1.
What is the InChIKey of 4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5-methyl-1,2,4-triazol-3-amine?
The InChIKey is FNIJEUWUKDOJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7S/c1-3-10-14-12(20-17-10)18-6-4-9(5-7-18)19-8(2)15-16-11(19)13/h9H,3-7H2,1-2H3,(H2,13,16).
What are the key properties of 4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5-methyl-1,2,4-triazol-3-amine?
4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5-methyl-1,2,4-triazol-3-amine has a molecular weight of 293.40 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 126823647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).