(E)-N-(3-ethylsulfanyl-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl)-1-thiophen-2-ylmethanimine

C10H10N6S2 — CID 6877298

IUPAC(E)-N-(3-ethylsulfanyl-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl)-1-thiophen-2-ylmethanimine
SMILESCCSc1nnc2n(/N=C/c3cccs3)cnn12
InChIInChI=1S/C10H10N6S2/c1-2-17-10-14-13-9-15(7-12-16(9)10)11-6-8-4-3-5-18-8/h3-7H,2H2,1H3/b11-6+
InChIKeyIGBQFERQNUDRJT-IZZDOVSWSA-N
MW278.37 g/mol
LogP1.98
Rot. Bonds4

About (E)-N-(3-ethylsulfanyl-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl)-1-thiophen-2-ylmethanimine

(E)-N-(3-ethylsulfanyl-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl)-1-thiophen-2-ylmethanimine (PubChem CID 6877298) has the molecular formula C10H10N6S2 and a molecular weight of 278.37 g/mol. Its IUPAC name is (E)-N-(3-ethylsulfanyl-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl)-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound Name(E)-N-(3-ethylsulfanyl-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl)-1-thiophen-2-ylmethanimine
PubChem CID6877298
Molecular FormulaC10H10N6S2
Molecular Weight278.37 g/mol
Exact Mass278.04
IUPAC Name(E)-N-(3-ethylsulfanyl-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl)-1-thiophen-2-ylmethanimine
SMILESCCSc1nnc2n(/N=C/c3cccs3)cnn12
InChIInChI=1S/C10H10N6S2/c1-2-17-10-14-13-9-15(7-12-16(9)10)11-6-8-4-3-5-18-8/h3-7H,2H2,1H3/b11-6+
InChIKeyIGBQFERQNUDRJT-IZZDOVSWSA-N
XLogP1.98
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-ethylsulfanyl-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl)-1-thiophen-2-ylmethanimine?
The IUPAC name of (E)-N-(3-ethylsulfanyl-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl)-1-thiophen-2-ylmethanimine (CID 6877298) is (E)-N-(3-ethylsulfanyl-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl)-1-thiophen-2-ylmethanimine.
What is the SMILES notation for (E)-N-(3-ethylsulfanyl-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl)-1-thiophen-2-ylmethanimine?
The canonical SMILES for (E)-N-(3-ethylsulfanyl-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl)-1-thiophen-2-ylmethanimine is CCSc1nnc2n(/N=C/c3cccs3)cnn12.
What is the InChIKey of (E)-N-(3-ethylsulfanyl-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl)-1-thiophen-2-ylmethanimine?
The InChIKey is IGBQFERQNUDRJT-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H10N6S2/c1-2-17-10-14-13-9-15(7-12-16(9)10)11-6-8-4-3-5-18-8/h3-7H,2H2,1H3/b11-6+.
What are the key properties of (E)-N-(3-ethylsulfanyl-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl)-1-thiophen-2-ylmethanimine?
(E)-N-(3-ethylsulfanyl-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl)-1-thiophen-2-ylmethanimine has a molecular weight of 278.37 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-ethylsulfanyl-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl)-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 6877298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).