(3-amino-1,2,4-triazol-1-yl)-(7-fluoroquinolin-2-yl)methanone

C12H8FN5O — CID 110485326

IUPAC(3-amino-1,2,4-triazol-1-yl)-(7-fluoroquinolin-2-yl)methanone
SMILESNc1ncn(C(=O)c2ccc3ccc(F)cc3n2)n1
InChIInChI=1S/C12H8FN5O/c13-8-3-1-7-2-4-9(16-10(7)5-8)11(19)18-6-15-12(14)17-18/h1-6H,(H2,14,17)
InChIKeyYUQTZNAMIXDYNE-UHFFFAOYSA-N
MW257.23 g/mol
LogP1.24
Rot. Bonds1

About (3-amino-1,2,4-triazol-1-yl)-(7-fluoroquinolin-2-yl)methanone

(3-amino-1,2,4-triazol-1-yl)-(7-fluoroquinolin-2-yl)methanone (PubChem CID 110485326) has the molecular formula C12H8FN5O and a molecular weight of 257.23 g/mol. Its IUPAC name is (3-amino-1,2,4-triazol-1-yl)-(7-fluoroquinolin-2-yl)methanone.

Molecular Properties

Compound Name(3-amino-1,2,4-triazol-1-yl)-(7-fluoroquinolin-2-yl)methanone
PubChem CID110485326
Molecular FormulaC12H8FN5O
Molecular Weight257.23 g/mol
Exact Mass257.07
IUPAC Name(3-amino-1,2,4-triazol-1-yl)-(7-fluoroquinolin-2-yl)methanone
SMILESNc1ncn(C(=O)c2ccc3ccc(F)cc3n2)n1
InChIInChI=1S/C12H8FN5O/c13-8-3-1-7-2-4-9(16-10(7)5-8)11(19)18-6-15-12(14)17-18/h1-6H,(H2,14,17)
InChIKeyYUQTZNAMIXDYNE-UHFFFAOYSA-N
XLogP1.24
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1,2,4-triazol-1-yl)-(7-fluoroquinolin-2-yl)methanone?
The IUPAC name of (3-amino-1,2,4-triazol-1-yl)-(7-fluoroquinolin-2-yl)methanone (CID 110485326) is (3-amino-1,2,4-triazol-1-yl)-(7-fluoroquinolin-2-yl)methanone.
What is the SMILES notation for (3-amino-1,2,4-triazol-1-yl)-(7-fluoroquinolin-2-yl)methanone?
The canonical SMILES for (3-amino-1,2,4-triazol-1-yl)-(7-fluoroquinolin-2-yl)methanone is Nc1ncn(C(=O)c2ccc3ccc(F)cc3n2)n1.
What is the InChIKey of (3-amino-1,2,4-triazol-1-yl)-(7-fluoroquinolin-2-yl)methanone?
The InChIKey is YUQTZNAMIXDYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN5O/c13-8-3-1-7-2-4-9(16-10(7)5-8)11(19)18-6-15-12(14)17-18/h1-6H,(H2,14,17).
What are the key properties of (3-amino-1,2,4-triazol-1-yl)-(7-fluoroquinolin-2-yl)methanone?
(3-amino-1,2,4-triazol-1-yl)-(7-fluoroquinolin-2-yl)methanone has a molecular weight of 257.23 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1,2,4-triazol-1-yl)-(7-fluoroquinolin-2-yl)methanone is sourced from PubChem (CID 110485326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).