(5-amino-3-anilino-1,2,4-triazol-1-yl)-(2,6-difluorophenyl)methanone

C15H11F2N5O — CID 20820292

IUPAC(5-amino-3-anilino-1,2,4-triazol-1-yl)-(2,6-difluorophenyl)methanone
SMILESNc1nc(Nc2ccccc2)nn1C(=O)c1c(F)cccc1F
InChIInChI=1S/C15H11F2N5O/c16-10-7-4-8-11(17)12(10)13(23)22-14(18)20-15(21-22)19-9-5-2-1-3-6-9/h1-8H,(H3,18,19,20,21)
InChIKeyVWXZXMUTJDFDBX-UHFFFAOYSA-N
MW315.28 g/mol
LogP2.57
Rot. Bonds3

About (5-amino-3-anilino-1,2,4-triazol-1-yl)-(2,6-difluorophenyl)methanone

(5-amino-3-anilino-1,2,4-triazol-1-yl)-(2,6-difluorophenyl)methanone (PubChem CID 20820292) has the molecular formula C15H11F2N5O and a molecular weight of 315.28 g/mol. Its IUPAC name is (5-amino-3-anilino-1,2,4-triazol-1-yl)-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name(5-amino-3-anilino-1,2,4-triazol-1-yl)-(2,6-difluorophenyl)methanone
PubChem CID20820292
Molecular FormulaC15H11F2N5O
Molecular Weight315.28 g/mol
Exact Mass315.09
IUPAC Name(5-amino-3-anilino-1,2,4-triazol-1-yl)-(2,6-difluorophenyl)methanone
SMILESNc1nc(Nc2ccccc2)nn1C(=O)c1c(F)cccc1F
InChIInChI=1S/C15H11F2N5O/c16-10-7-4-8-11(17)12(10)13(23)22-14(18)20-15(21-22)19-9-5-2-1-3-6-9/h1-8H,(H3,18,19,20,21)
InChIKeyVWXZXMUTJDFDBX-UHFFFAOYSA-N
XLogP2.57
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5-amino-3-anilino-1,2,4-triazol-1-yl)-(2,6-difluorophenyl)methanone 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-anilino-1,2,4-triazol-1-yl)-(2,6-difluorophenyl)methanone?
The IUPAC name of (5-amino-3-anilino-1,2,4-triazol-1-yl)-(2,6-difluorophenyl)methanone (CID 20820292) is (5-amino-3-anilino-1,2,4-triazol-1-yl)-(2,6-difluorophenyl)methanone.
What is the SMILES notation for (5-amino-3-anilino-1,2,4-triazol-1-yl)-(2,6-difluorophenyl)methanone?
The canonical SMILES for (5-amino-3-anilino-1,2,4-triazol-1-yl)-(2,6-difluorophenyl)methanone is Nc1nc(Nc2ccccc2)nn1C(=O)c1c(F)cccc1F.
What is the InChIKey of (5-amino-3-anilino-1,2,4-triazol-1-yl)-(2,6-difluorophenyl)methanone?
The InChIKey is VWXZXMUTJDFDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N5O/c16-10-7-4-8-11(17)12(10)13(23)22-14(18)20-15(21-22)19-9-5-2-1-3-6-9/h1-8H,(H3,18,19,20,21).
What are the key properties of (5-amino-3-anilino-1,2,4-triazol-1-yl)-(2,6-difluorophenyl)methanone?
(5-amino-3-anilino-1,2,4-triazol-1-yl)-(2,6-difluorophenyl)methanone has a molecular weight of 315.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-anilino-1,2,4-triazol-1-yl)-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 20820292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).