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

C11H16N6S — CID 126840194

IUPACN-[(1-cyclobutyltriazol-4-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCc2cn(C3CCC3)nn2)n1
InChIInChI=1S/C11H16N6S/c1-2-10-13-11(18-15-10)12-6-8-7-17(16-14-8)9-4-3-5-9/h7,9H,2-6H2,1H3,(H,12,13,15)
InChIKeyKTZXNHYYURLURE-UHFFFAOYSA-N
MW264.36 g/mol
LogP2.03
Rot. Bonds5

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

N-[(1-cyclobutyltriazol-4-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 126840194) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is N-[(1-cyclobutyltriazol-4-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(1-cyclobutyltriazol-4-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID126840194
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC NameN-[(1-cyclobutyltriazol-4-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCc2cn(C3CCC3)nn2)n1
InChIInChI=1S/C11H16N6S/c1-2-10-13-11(18-15-10)12-6-8-7-17(16-14-8)9-4-3-5-9/h7,9H,2-6H2,1H3,(H,12,13,15)
InChIKeyKTZXNHYYURLURE-UHFFFAOYSA-N
XLogP2.03
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclobutyltriazol-4-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(1-cyclobutyltriazol-4-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine (CID 126840194) is N-[(1-cyclobutyltriazol-4-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(1-cyclobutyltriazol-4-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(1-cyclobutyltriazol-4-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine is CCc1nsc(NCc2cn(C3CCC3)nn2)n1.
What is the InChIKey of N-[(1-cyclobutyltriazol-4-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is KTZXNHYYURLURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6S/c1-2-10-13-11(18-15-10)12-6-8-7-17(16-14-8)9-4-3-5-9/h7,9H,2-6H2,1H3,(H,12,13,15).
What are the key properties of N-[(1-cyclobutyltriazol-4-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
N-[(1-cyclobutyltriazol-4-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 264.36 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclobutyltriazol-4-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 126840194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).