6-(2,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C12H8F2N4 — CID 141272180

IUPAC6-(2,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncc(-c3ccc(F)cc3F)cn2n1
InChIInChI=1S/C12H8F2N4/c1-7-16-12-15-5-8(6-18(12)17-7)10-3-2-9(13)4-11(10)14/h2-6H,1H3
InChIKeyQDEFABINDDRSAG-UHFFFAOYSA-N
MW246.22 g/mol
LogP2.38
Rot. Bonds1

About 6-(2,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

6-(2,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 141272180) has the molecular formula C12H8F2N4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID141272180
Molecular FormulaC12H8F2N4
Molecular Weight246.22 g/mol
Exact Mass246.07
IUPAC Name6-(2,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncc(-c3ccc(F)cc3F)cn2n1
InChIInChI=1S/C12H8F2N4/c1-7-16-12-15-5-8(6-18(12)17-7)10-3-2-9(13)4-11(10)14/h2-6H,1H3
InChIKeyQDEFABINDDRSAG-UHFFFAOYSA-N
XLogP2.38
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 86703025
4-(2,4-difluorophenyl)-1-ethylimidazole
CID 141121326
2-(2,4-difluorophenyl)-6-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-b][1,2,4]triazine
CID 122506750
4-(2,4-difluorophenyl)-2-methyl-1H-pyrrole
CID 174923428
4-(2,4-difluorophenyl)pyridine
CID 45036856
2-[6-(2,4-difluorophenyl)-2-pyridinyl]-3,5-difluoropyridine
CID 58640778
5-[2,4-difluoro-3-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole;formamide
CID 144872142
2-(4-fluoro-2-methylphenyl)-6-[(6-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-b][1,2,4]triazine
CID 122520400
4-(2,4-difluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692598
2-(2,4-difluorophenyl)-5-fluoropyridine
CID 130334925
4-(2-fluoro-4-methylphenyl)-1-methylpyrazole
CID 121373425
3-chloro-5-(2,4-difluorophenyl)pyridin-2-amine
CID 168665656

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(2,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 141272180) is 6-(2,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(2,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(2,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2ncc(-c3ccc(F)cc3F)cn2n1.
What is the InChIKey of 6-(2,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is QDEFABINDDRSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N4/c1-7-16-12-15-5-8(6-18(12)17-7)10-3-2-9(13)4-11(10)14/h2-6H,1H3.
What are the key properties of 6-(2,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
6-(2,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 246.22 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 141272180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).