[3,5-bis(dimethylamino)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone

C11H15N5OS — CID 3744368

IUPAC[3,5-bis(dimethylamino)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone
SMILESCN(C)c1nc(N(C)C)n(C(=O)c2cccs2)n1
InChIInChI=1S/C11H15N5OS/c1-14(2)10-12-11(15(3)4)16(13-10)9(17)8-6-5-7-18-8/h5-7H,1-4H3
InChIKeyMNXKNQJLDRAHLX-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.16
Rot. Bonds3

About [3,5-bis(dimethylamino)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone

[3,5-bis(dimethylamino)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone (PubChem CID 3744368) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is [3,5-bis(dimethylamino)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3,5-bis(dimethylamino)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone
PubChem CID3744368
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name[3,5-bis(dimethylamino)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone
SMILESCN(C)c1nc(N(C)C)n(C(=O)c2cccs2)n1
InChIInChI=1S/C11H15N5OS/c1-14(2)10-12-11(15(3)4)16(13-10)9(17)8-6-5-7-18-8/h5-7H,1-4H3
InChIKeyMNXKNQJLDRAHLX-UHFFFAOYSA-N
XLogP1.16
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3,5-bis(dimethylamino)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3,5-bis(dimethylamino)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone (CID 3744368) is [3,5-bis(dimethylamino)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3,5-bis(dimethylamino)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3,5-bis(dimethylamino)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone is CN(C)c1nc(N(C)C)n(C(=O)c2cccs2)n1.
What is the InChIKey of [3,5-bis(dimethylamino)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone?
The InChIKey is MNXKNQJLDRAHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-14(2)10-12-11(15(3)4)16(13-10)9(17)8-6-5-7-18-8/h5-7H,1-4H3.
What are the key properties of [3,5-bis(dimethylamino)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone?
[3,5-bis(dimethylamino)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone has a molecular weight of 265.34 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(dimethylamino)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 3744368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).