7-(3-fluorophenyl)-3-methyl-2H-[1,2,4]triazolo[1,5-c]pyrimidine

C12H11FN4 — CID 23459916

IUPAC7-(3-fluorophenyl)-3-methyl-2H-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCN1CN=C2C=C(c3cccc(F)c3)N=CN21
InChIInChI=1S/C12H11FN4/c1-16-7-15-12-6-11(14-8-17(12)16)9-3-2-4-10(13)5-9/h2-6,8H,7H2,1H3
InChIKeyANKFFHWLFPBKNF-UHFFFAOYSA-N
MW230.25 g/mol
LogP1.73
Rot. Bonds1

About 7-(3-fluorophenyl)-3-methyl-2H-[1,2,4]triazolo[1,5-c]pyrimidine

7-(3-fluorophenyl)-3-methyl-2H-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 23459916) has the molecular formula C12H11FN4 and a molecular weight of 230.25 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-3-methyl-2H-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name7-(3-fluorophenyl)-3-methyl-2H-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID23459916
Molecular FormulaC12H11FN4
Molecular Weight230.25 g/mol
Exact Mass230.10
IUPAC Name7-(3-fluorophenyl)-3-methyl-2H-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCN1CN=C2C=C(c3cccc(F)c3)N=CN21
InChIInChI=1S/C12H11FN4/c1-16-7-15-12-6-11(14-8-17(12)16)9-3-2-4-10(13)5-9/h2-6,8H,7H2,1H3
InChIKeyANKFFHWLFPBKNF-UHFFFAOYSA-N
XLogP1.73
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-3-methyl-2H-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 7-(3-fluorophenyl)-3-methyl-2H-[1,2,4]triazolo[1,5-c]pyrimidine (CID 23459916) is 7-(3-fluorophenyl)-3-methyl-2H-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 7-(3-fluorophenyl)-3-methyl-2H-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 7-(3-fluorophenyl)-3-methyl-2H-[1,2,4]triazolo[1,5-c]pyrimidine is CN1CN=C2C=C(c3cccc(F)c3)N=CN21.
What is the InChIKey of 7-(3-fluorophenyl)-3-methyl-2H-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is ANKFFHWLFPBKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4/c1-16-7-15-12-6-11(14-8-17(12)16)9-3-2-4-10(13)5-9/h2-6,8H,7H2,1H3.
What are the key properties of 7-(3-fluorophenyl)-3-methyl-2H-[1,2,4]triazolo[1,5-c]pyrimidine?
7-(3-fluorophenyl)-3-methyl-2H-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 230.25 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-3-methyl-2H-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 23459916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).