1-[1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]ethanamine

C7H10N6S — CID 130815322

IUPAC1-[1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCC(N)c1ncn(Cc2cnsn2)n1
InChIInChI=1S/C7H10N6S/c1-5(8)7-9-4-13(11-7)3-6-2-10-14-12-6/h2,4-5H,3,8H2,1H3
InChIKeyQMXJKGHOFKCDMU-UHFFFAOYSA-N
MW210.27 g/mol
LogP0.20
Rot. Bonds3

About 1-[1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]ethanamine

1-[1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]ethanamine (PubChem CID 130815322) has the molecular formula C7H10N6S and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-[1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]ethanamine
PubChem CID130815322
Molecular FormulaC7H10N6S
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC Name1-[1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCC(N)c1ncn(Cc2cnsn2)n1
InChIInChI=1S/C7H10N6S/c1-5(8)7-9-4-13(11-7)3-6-2-10-14-12-6/h2,4-5H,3,8H2,1H3
InChIKeyQMXJKGHOFKCDMU-UHFFFAOYSA-N
XLogP0.20
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 1-[1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]ethanamine (CID 130815322) is 1-[1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 1-[1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]ethanamine is CC(N)c1ncn(Cc2cnsn2)n1.
What is the InChIKey of 1-[1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is QMXJKGHOFKCDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6S/c1-5(8)7-9-4-13(11-7)3-6-2-10-14-12-6/h2,4-5H,3,8H2,1H3.
What are the key properties of 1-[1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]ethanamine?
1-[1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 210.27 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2,5-thiadiazol-3-ylmethyl)-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 130815322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).