(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-thiophen-3-ylmethanone

C12H9N5OS — CID 70698398

IUPAC(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-thiophen-3-ylmethanone
SMILESNc1nc(-c2cccnc2)nn1C(=O)c1ccsc1
InChIInChI=1S/C12H9N5OS/c13-12-15-10(8-2-1-4-14-6-8)16-17(12)11(18)9-3-5-19-7-9/h1-7H,(H2,13,15,16)
InChIKeyRSJVXSYXLFZCDL-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.67
Rot. Bonds2

About (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-thiophen-3-ylmethanone

(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-thiophen-3-ylmethanone (PubChem CID 70698398) has the molecular formula C12H9N5OS and a molecular weight of 271.31 g/mol. Its IUPAC name is (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-thiophen-3-ylmethanone
PubChem CID70698398
Molecular FormulaC12H9N5OS
Molecular Weight271.31 g/mol
Exact Mass271.05
IUPAC Name(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-thiophen-3-ylmethanone
SMILESNc1nc(-c2cccnc2)nn1C(=O)c1ccsc1
InChIInChI=1S/C12H9N5OS/c13-12-15-10(8-2-1-4-14-6-8)16-17(12)11(18)9-3-5-19-7-9/h1-7H,(H2,13,15,16)
InChIKeyRSJVXSYXLFZCDL-UHFFFAOYSA-N
XLogP1.67
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-thiophen-3-ylmethanone?
The IUPAC name of (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-thiophen-3-ylmethanone (CID 70698398) is (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-thiophen-3-ylmethanone is Nc1nc(-c2cccnc2)nn1C(=O)c1ccsc1.
What is the InChIKey of (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-thiophen-3-ylmethanone?
The InChIKey is RSJVXSYXLFZCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5OS/c13-12-15-10(8-2-1-4-14-6-8)16-17(12)11(18)9-3-5-19-7-9/h1-7H,(H2,13,15,16).
What are the key properties of (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-thiophen-3-ylmethanone?
(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-thiophen-3-ylmethanone has a molecular weight of 271.31 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 70698398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).