6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine

C17H12FN5 — CID 90095592

IUPAC6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(-c2ncccc2-c2cnc3ncnn3c2)ccc1F
InChIInChI=1S/C17H12FN5/c1-11-7-12(4-5-15(11)18)16-14(3-2-6-19-16)13-8-20-17-21-10-22-23(17)9-13/h2-10H,1H3
InChIKeyGBLUBYHNOSZFQR-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.30
Rot. Bonds2

About 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine

6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 90095592) has the molecular formula C17H12FN5 and a molecular weight of 305.32 g/mol. Its IUPAC name is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID90095592
Molecular FormulaC17H12FN5
Molecular Weight305.32 g/mol
Exact Mass305.11
IUPAC Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(-c2ncccc2-c2cnc3ncnn3c2)ccc1F
InChIInChI=1S/C17H12FN5/c1-11-7-12(4-5-15(11)18)16-14(3-2-6-19-16)13-8-20-17-21-10-22-23(17)9-13/h2-10H,1H3
InChIKeyGBLUBYHNOSZFQR-UHFFFAOYSA-N
XLogP3.30
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 90095592) is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(-c2ncccc2-c2cnc3ncnn3c2)ccc1F.
What is the InChIKey of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is GBLUBYHNOSZFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5/c1-11-7-12(4-5-15(11)18)16-14(3-2-6-19-16)13-8-20-17-21-10-22-23(17)9-13/h2-10H,1H3.
What are the key properties of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 305.32 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 90095592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).