5-ethyl-1-(1,2,5-thiadiazol-3-ylmethyl)triazol-4-amine

C7H10N6S — CID 131123673

IUPAC5-ethyl-1-(1,2,5-thiadiazol-3-ylmethyl)triazol-4-amine
SMILESCCc1c(N)nnn1Cc1cnsn1
InChIInChI=1S/C7H10N6S/c1-2-6-7(8)10-12-13(6)4-5-3-9-14-11-5/h3H,2,4,8H2,1H3
InChIKeyPAGBGUUPFJMODP-UHFFFAOYSA-N
MW210.27 g/mol
LogP0.32
Rot. Bonds3

About 5-ethyl-1-(1,2,5-thiadiazol-3-ylmethyl)triazol-4-amine

5-ethyl-1-(1,2,5-thiadiazol-3-ylmethyl)triazol-4-amine (PubChem CID 131123673) has the molecular formula C7H10N6S and a molecular weight of 210.27 g/mol. Its IUPAC name is 5-ethyl-1-(1,2,5-thiadiazol-3-ylmethyl)triazol-4-amine.

Molecular Properties

Compound Name5-ethyl-1-(1,2,5-thiadiazol-3-ylmethyl)triazol-4-amine
PubChem CID131123673
Molecular FormulaC7H10N6S
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC Name5-ethyl-1-(1,2,5-thiadiazol-3-ylmethyl)triazol-4-amine
SMILESCCc1c(N)nnn1Cc1cnsn1
InChIInChI=1S/C7H10N6S/c1-2-6-7(8)10-12-13(6)4-5-3-9-14-11-5/h3H,2,4,8H2,1H3
InChIKeyPAGBGUUPFJMODP-UHFFFAOYSA-N
XLogP0.32
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 ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(1,2,5-thiadiazol-3-ylmethyl)triazol-4-amine?
The IUPAC name of 5-ethyl-1-(1,2,5-thiadiazol-3-ylmethyl)triazol-4-amine (CID 131123673) is 5-ethyl-1-(1,2,5-thiadiazol-3-ylmethyl)triazol-4-amine.
What is the SMILES notation for 5-ethyl-1-(1,2,5-thiadiazol-3-ylmethyl)triazol-4-amine?
The canonical SMILES for 5-ethyl-1-(1,2,5-thiadiazol-3-ylmethyl)triazol-4-amine is CCc1c(N)nnn1Cc1cnsn1.
What is the InChIKey of 5-ethyl-1-(1,2,5-thiadiazol-3-ylmethyl)triazol-4-amine?
The InChIKey is PAGBGUUPFJMODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6S/c1-2-6-7(8)10-12-13(6)4-5-3-9-14-11-5/h3H,2,4,8H2,1H3.
What are the key properties of 5-ethyl-1-(1,2,5-thiadiazol-3-ylmethyl)triazol-4-amine?
5-ethyl-1-(1,2,5-thiadiazol-3-ylmethyl)triazol-4-amine has a molecular weight of 210.27 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(1,2,5-thiadiazol-3-ylmethyl)triazol-4-amine is sourced from PubChem (CID 131123673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).