[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone

C12H9N5O2 — CID 970007

IUPAC[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone
SMILESNc1nc(-c2ccco2)nn1C(=O)c1cccnc1
InChIInChI=1S/C12H9N5O2/c13-12-15-10(9-4-2-6-19-9)16-17(12)11(18)8-3-1-5-14-7-8/h1-7H,(H2,13,15,16)
InChIKeyPLNXTIUPFUQRSH-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.20
Rot. Bonds2

About [5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone

[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone (PubChem CID 970007) has the molecular formula C12H9N5O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is [5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone
PubChem CID970007
Molecular FormulaC12H9N5O2
Molecular Weight255.24 g/mol
Exact Mass255.08
IUPAC Name[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone
SMILESNc1nc(-c2ccco2)nn1C(=O)c1cccnc1
InChIInChI=1S/C12H9N5O2/c13-12-15-10(9-4-2-6-19-9)16-17(12)11(18)8-3-1-5-14-7-8/h1-7H,(H2,13,15,16)
InChIKeyPLNXTIUPFUQRSH-UHFFFAOYSA-N
XLogP1.20
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone (CID 970007) is [5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone is Nc1nc(-c2ccco2)nn1C(=O)c1cccnc1.
What is the InChIKey of [5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone?
The InChIKey is PLNXTIUPFUQRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O2/c13-12-15-10(9-4-2-6-19-9)16-17(12)11(18)8-3-1-5-14-7-8/h1-7H,(H2,13,15,16).
What are the key properties of [5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone?
[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone has a molecular weight of 255.24 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 970007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).