7-(3,5-difluorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

C15H10F2N4O — CID 135491336

IUPAC7-(3,5-difluorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1cc(F)cc(C2C=C(c3ccco3)Nc3ncnn32)c1
InChIInChI=1S/C15H10F2N4O/c16-10-4-9(5-11(17)6-10)13-7-12(14-2-1-3-22-14)20-15-18-8-19-21(13)15/h1-8,13H,(H,18,19,20)
InChIKeyQUZUHNHKSHGVEH-UHFFFAOYSA-N
MW300.27 g/mol
LogP3.21
Rot. Bonds2

About 7-(3,5-difluorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

7-(3,5-difluorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 135491336) has the molecular formula C15H10F2N4O and a molecular weight of 300.27 g/mol. Its IUPAC name is 7-(3,5-difluorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3,5-difluorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID135491336
Molecular FormulaC15H10F2N4O
Molecular Weight300.27 g/mol
Exact Mass300.08
IUPAC Name7-(3,5-difluorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1cc(F)cc(C2C=C(c3ccco3)Nc3ncnn32)c1
InChIInChI=1S/C15H10F2N4O/c16-10-4-9(5-11(17)6-10)13-7-12(14-2-1-3-22-14)20-15-18-8-19-21(13)15/h1-8,13H,(H,18,19,20)
InChIKeyQUZUHNHKSHGVEH-UHFFFAOYSA-N
XLogP3.21
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(3,5-difluorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide
CID 665804
5-(4-Fluorophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3529457
5-(4-Bromophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3574213
5-(4-Fluorophenyl)-7-(furan-2-yl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 2948735
5-(4-Fluorophenyl)-7-(furan-2-yl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 2947662
5-(Biphenyl-4-yl)-7-(furan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 665451
5-(4-Fluorophenyl)-7-(furan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 2931020
7-(5-Bromo-2-furyl)-5-(4-fluorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 2932011
5-(4-Chlorophenyl)-7-(2-furyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 2932207
5-(4-Bromophenyl)-7-(furan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 2933809
7-(2-Furyl)-5-(4-methylphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 3154580
5-(2-Chlorophenyl)-7-(furan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 3723129

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-difluorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3,5-difluorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 135491336) is 7-(3,5-difluorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3,5-difluorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3,5-difluorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is Fc1cc(F)cc(C2C=C(c3ccco3)Nc3ncnn32)c1.
What is the InChIKey of 7-(3,5-difluorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is QUZUHNHKSHGVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N4O/c16-10-4-9(5-11(17)6-10)13-7-12(14-2-1-3-22-14)20-15-18-8-19-21(13)15/h1-8,13H,(H,18,19,20).
What are the key properties of 7-(3,5-difluorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(3,5-difluorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 300.27 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-difluorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135491336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).