5-fluoro-N-[3-(triazol-1-yl)propyl]quinazolin-4-amine

C13H13FN6 — CID 72923478

IUPAC5-fluoro-N-[3-(triazol-1-yl)propyl]quinazolin-4-amine
SMILESFc1cccc2ncnc(NCCCn3ccnn3)c12
InChIInChI=1S/C13H13FN6/c14-10-3-1-4-11-12(10)13(17-9-16-11)15-5-2-7-20-8-6-18-19-20/h1,3-4,6,8-9H,2,5,7H2,(H,15,16,17)
InChIKeyYVRVMZVULMTPTM-UHFFFAOYSA-N
MW272.29 g/mol
LogP1.86
Rot. Bonds5

About 5-fluoro-N-[3-(triazol-1-yl)propyl]quinazolin-4-amine

5-fluoro-N-[3-(triazol-1-yl)propyl]quinazolin-4-amine (PubChem CID 72923478) has the molecular formula C13H13FN6 and a molecular weight of 272.29 g/mol. Its IUPAC name is 5-fluoro-N-[3-(triazol-1-yl)propyl]quinazolin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-[3-(triazol-1-yl)propyl]quinazolin-4-amine
PubChem CID72923478
Molecular FormulaC13H13FN6
Molecular Weight272.29 g/mol
Exact Mass272.12
IUPAC Name5-fluoro-N-[3-(triazol-1-yl)propyl]quinazolin-4-amine
SMILESFc1cccc2ncnc(NCCCn3ccnn3)c12
InChIInChI=1S/C13H13FN6/c14-10-3-1-4-11-12(10)13(17-9-16-11)15-5-2-7-20-8-6-18-19-20/h1,3-4,6,8-9H,2,5,7H2,(H,15,16,17)
InChIKeyYVRVMZVULMTPTM-UHFFFAOYSA-N
XLogP1.86
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[3-(triazol-1-yl)propyl]quinazolin-4-amine?
The IUPAC name of 5-fluoro-N-[3-(triazol-1-yl)propyl]quinazolin-4-amine (CID 72923478) is 5-fluoro-N-[3-(triazol-1-yl)propyl]quinazolin-4-amine.
What is the SMILES notation for 5-fluoro-N-[3-(triazol-1-yl)propyl]quinazolin-4-amine?
The canonical SMILES for 5-fluoro-N-[3-(triazol-1-yl)propyl]quinazolin-4-amine is Fc1cccc2ncnc(NCCCn3ccnn3)c12.
What is the InChIKey of 5-fluoro-N-[3-(triazol-1-yl)propyl]quinazolin-4-amine?
The InChIKey is YVRVMZVULMTPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN6/c14-10-3-1-4-11-12(10)13(17-9-16-11)15-5-2-7-20-8-6-18-19-20/h1,3-4,6,8-9H,2,5,7H2,(H,15,16,17).
What are the key properties of 5-fluoro-N-[3-(triazol-1-yl)propyl]quinazolin-4-amine?
5-fluoro-N-[3-(triazol-1-yl)propyl]quinazolin-4-amine has a molecular weight of 272.29 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[3-(triazol-1-yl)propyl]quinazolin-4-amine is sourced from PubChem (CID 72923478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).