5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C6H5FN4 — CID 19833548

IUPAC5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFCc1ccn2ncnc2n1
InChIInChI=1S/C6H5FN4/c7-3-5-1-2-11-6(10-5)8-4-9-11/h1-2,4H,3H2
InChIKeyFTWZGGVYSSVYFQ-UHFFFAOYSA-N
MW152.13 g/mol
LogP0.59
Rot. Bonds1

About 5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 19833548) has the molecular formula C6H5FN4 and a molecular weight of 152.13 g/mol. Its IUPAC name is 5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID19833548
Molecular FormulaC6H5FN4
Molecular Weight152.13 g/mol
Exact Mass152.05
IUPAC Name5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFCc1ccn2ncnc2n1
InChIInChI=1S/C6H5FN4/c7-3-5-1-2-11-6(10-5)8-4-9-11/h1-2,4H,3H2
InChIKeyFTWZGGVYSSVYFQ-UHFFFAOYSA-N
XLogP0.59
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.13
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 19833548) is 5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is FCc1ccn2ncnc2n1.
What is the InChIKey of 5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is FTWZGGVYSSVYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN4/c7-3-5-1-2-11-6(10-5)8-4-9-11/h1-2,4H,3H2.
What are the key properties of 5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 152.13 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 19833548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).