8-(3,5-diethyl-1,2,4-triazol-1-yl)-7-fluoroquinolin-5-amine

C15H16FN5 — CID 83166357

IUPAC8-(3,5-diethyl-1,2,4-triazol-1-yl)-7-fluoroquinolin-5-amine
SMILESCCc1nc(CC)n(-c2c(F)cc(N)c3cccnc23)n1
InChIInChI=1S/C15H16FN5/c1-3-12-19-13(4-2)21(20-12)15-10(16)8-11(17)9-6-5-7-18-14(9)15/h5-8H,3-4,17H2,1-2H3
InChIKeyDWORVNILVWXWEZ-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.66
Rot. Bonds3

About 8-(3,5-diethyl-1,2,4-triazol-1-yl)-7-fluoroquinolin-5-amine

8-(3,5-diethyl-1,2,4-triazol-1-yl)-7-fluoroquinolin-5-amine (PubChem CID 83166357) has the molecular formula C15H16FN5 and a molecular weight of 285.33 g/mol. Its IUPAC name is 8-(3,5-diethyl-1,2,4-triazol-1-yl)-7-fluoroquinolin-5-amine.

Molecular Properties

Compound Name8-(3,5-diethyl-1,2,4-triazol-1-yl)-7-fluoroquinolin-5-amine
PubChem CID83166357
Molecular FormulaC15H16FN5
Molecular Weight285.33 g/mol
Exact Mass285.14
IUPAC Name8-(3,5-diethyl-1,2,4-triazol-1-yl)-7-fluoroquinolin-5-amine
SMILESCCc1nc(CC)n(-c2c(F)cc(N)c3cccnc23)n1
InChIInChI=1S/C15H16FN5/c1-3-12-19-13(4-2)21(20-12)15-10(16)8-11(17)9-6-5-7-18-14(9)15/h5-8H,3-4,17H2,1-2H3
InChIKeyDWORVNILVWXWEZ-UHFFFAOYSA-N
XLogP2.66
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(3,5-diethyl-1,2,4-triazol-1-yl)-7-fluoroquinolin-5-amine?
The IUPAC name of 8-(3,5-diethyl-1,2,4-triazol-1-yl)-7-fluoroquinolin-5-amine (CID 83166357) is 8-(3,5-diethyl-1,2,4-triazol-1-yl)-7-fluoroquinolin-5-amine.
What is the SMILES notation for 8-(3,5-diethyl-1,2,4-triazol-1-yl)-7-fluoroquinolin-5-amine?
The canonical SMILES for 8-(3,5-diethyl-1,2,4-triazol-1-yl)-7-fluoroquinolin-5-amine is CCc1nc(CC)n(-c2c(F)cc(N)c3cccnc23)n1.
What is the InChIKey of 8-(3,5-diethyl-1,2,4-triazol-1-yl)-7-fluoroquinolin-5-amine?
The InChIKey is DWORVNILVWXWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5/c1-3-12-19-13(4-2)21(20-12)15-10(16)8-11(17)9-6-5-7-18-14(9)15/h5-8H,3-4,17H2,1-2H3.
What are the key properties of 8-(3,5-diethyl-1,2,4-triazol-1-yl)-7-fluoroquinolin-5-amine?
8-(3,5-diethyl-1,2,4-triazol-1-yl)-7-fluoroquinolin-5-amine has a molecular weight of 285.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-diethyl-1,2,4-triazol-1-yl)-7-fluoroquinolin-5-amine is sourced from PubChem (CID 83166357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).