N-ethyl-N-(4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-ylmethyl)ethanamine

C14H18N4S — CID 3066386

IUPACN-ethyl-N-(4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-ylmethyl)ethanamine
SMILESCCN(CC)Cc1nnc2n1-c1ccccc1SC2
InChIInChI=1S/C14H18N4S/c1-3-17(4-2)9-13-15-16-14-10-19-12-8-6-5-7-11(12)18(13)14/h5-8H,3-4,9-10H2,1-2H3
InChIKeyAGWMDRLVFMHYTN-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.71
Rot. Bonds4

About N-ethyl-N-(4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-ylmethyl)ethanamine

N-ethyl-N-(4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-ylmethyl)ethanamine (PubChem CID 3066386) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-ethyl-N-(4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-N-(4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-ylmethyl)ethanamine
PubChem CID3066386
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC NameN-ethyl-N-(4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-ylmethyl)ethanamine
SMILESCCN(CC)Cc1nnc2n1-c1ccccc1SC2
InChIInChI=1S/C14H18N4S/c1-3-17(4-2)9-13-15-16-14-10-19-12-8-6-5-7-11(12)18(13)14/h5-8H,3-4,9-10H2,1-2H3
InChIKeyAGWMDRLVFMHYTN-UHFFFAOYSA-N
XLogP2.71
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-ylmethyl)ethanamine?
The IUPAC name of N-ethyl-N-(4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-ylmethyl)ethanamine (CID 3066386) is N-ethyl-N-(4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-ylmethyl)ethanamine.
What is the SMILES notation for N-ethyl-N-(4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-ylmethyl)ethanamine?
The canonical SMILES for N-ethyl-N-(4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-ylmethyl)ethanamine is CCN(CC)Cc1nnc2n1-c1ccccc1SC2.
What is the InChIKey of N-ethyl-N-(4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-ylmethyl)ethanamine?
The InChIKey is AGWMDRLVFMHYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-3-17(4-2)9-13-15-16-14-10-19-12-8-6-5-7-11(12)18(13)14/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of N-ethyl-N-(4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-ylmethyl)ethanamine?
N-ethyl-N-(4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-ylmethyl)ethanamine has a molecular weight of 274.39 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazin-1-ylmethyl)ethanamine is sourced from PubChem (CID 3066386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).