(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-fluorophenyl)methanone

C14H10FN5O — CID 162654445

IUPAC(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-fluorophenyl)methanone
SMILESNc1nc(-c2ccccn2)nn1C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H10FN5O/c15-10-6-4-9(5-7-10)13(21)20-14(16)18-12(19-20)11-3-1-2-8-17-11/h1-8H,(H2,16,18,19)
InChIKeyQKNUHBOQEJLPLK-UHFFFAOYSA-N
MW283.27 g/mol
LogP1.75
Rot. Bonds2

About (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-fluorophenyl)methanone

(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-fluorophenyl)methanone (PubChem CID 162654445) has the molecular formula C14H10FN5O and a molecular weight of 283.27 g/mol. Its IUPAC name is (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-fluorophenyl)methanone
PubChem CID162654445
Molecular FormulaC14H10FN5O
Molecular Weight283.27 g/mol
Exact Mass283.09
IUPAC Name(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-fluorophenyl)methanone
SMILESNc1nc(-c2ccccn2)nn1C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H10FN5O/c15-10-6-4-9(5-7-10)13(21)20-14(16)18-12(19-20)11-3-1-2-8-17-11/h1-8H,(H2,16,18,19)
InChIKeyQKNUHBOQEJLPLK-UHFFFAOYSA-N
XLogP1.75
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-fluorophenyl)methanone (CID 162654445) is (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-fluorophenyl)methanone is Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(F)cc1.
What is the InChIKey of (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-fluorophenyl)methanone?
The InChIKey is QKNUHBOQEJLPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5O/c15-10-6-4-9(5-7-10)13(21)20-14(16)18-12(19-20)11-3-1-2-8-17-11/h1-8H,(H2,16,18,19).
What are the key properties of (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-fluorophenyl)methanone?
(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-fluorophenyl)methanone has a molecular weight of 283.27 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 162654445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).