7-(4-fluorophenyl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C15H10FN5 — CID 1478928

IUPAC7-(4-fluorophenyl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1ccc(-c2ccnc3nc(-n4cccc4)nn23)cc1
InChIInChI=1S/C15H10FN5/c16-12-5-3-11(4-6-12)13-7-8-17-14-18-15(19-21(13)14)20-9-1-2-10-20/h1-10H
InChIKeyQWHNGVTYVXLERO-UHFFFAOYSA-N
MW279.28 g/mol
LogP2.72
Rot. Bonds2

About 7-(4-fluorophenyl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine

7-(4-fluorophenyl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 1478928) has the molecular formula C15H10FN5 and a molecular weight of 279.28 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID1478928
Molecular FormulaC15H10FN5
Molecular Weight279.28 g/mol
Exact Mass279.09
IUPAC Name7-(4-fluorophenyl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1ccc(-c2ccnc3nc(-n4cccc4)nn23)cc1
InChIInChI=1S/C15H10FN5/c16-12-5-3-11(4-6-12)13-7-8-17-14-18-15(19-21(13)14)20-9-1-2-10-20/h1-10H
InChIKeyQWHNGVTYVXLERO-UHFFFAOYSA-N
XLogP2.72
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-fluorophenyl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 1478928) is 7-(4-fluorophenyl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-fluorophenyl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-fluorophenyl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine is Fc1ccc(-c2ccnc3nc(-n4cccc4)nn23)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is QWHNGVTYVXLERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5/c16-12-5-3-11(4-6-12)13-7-8-17-14-18-15(19-21(13)14)20-9-1-2-10-20/h1-10H.
What are the key properties of 7-(4-fluorophenyl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-fluorophenyl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 279.28 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1478928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).