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

C15H12N4O — CID 3250887

IUPAC7-(furan-2-yl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESC1=C(c2ccccc2)Nc2ncnn2C1c1ccco1
InChIInChI=1S/C15H12N4O/c1-2-5-11(6-3-1)12-9-13(14-7-4-8-20-14)19-15(18-12)16-10-17-19/h1-10,13H,(H,16,17,18)
InChIKeyOGIKIUYHSGJCKK-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.93
Rot. Bonds2

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

7-(furan-2-yl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 3250887) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 7-(furan-2-yl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(furan-2-yl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID3250887
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name7-(furan-2-yl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESC1=C(c2ccccc2)Nc2ncnn2C1c1ccco1
InChIInChI=1S/C15H12N4O/c1-2-5-11(6-3-1)12-9-13(14-7-4-8-20-14)19-15(18-12)16-10-17-19/h1-10,13H,(H,16,17,18)
InChIKeyOGIKIUYHSGJCKK-UHFFFAOYSA-N
XLogP2.93
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 7-(furan-2-yl)-5-(methoxymethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 2985448
2-Methoxyethyl 7-(furan-2-yl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 3161237
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
1-[1-Benzofuran-2-yl-(4-fluorophenyl)methyl]-1,2,4-triazole
CID 10379617
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

Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(furan-2-yl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 3250887) is 7-(furan-2-yl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(furan-2-yl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(furan-2-yl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is C1=C(c2ccccc2)Nc2ncnn2C1c1ccco1.
What is the InChIKey of 7-(furan-2-yl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is OGIKIUYHSGJCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c1-2-5-11(6-3-1)12-9-13(14-7-4-8-20-14)19-15(18-12)16-10-17-19/h1-10,13H,(H,16,17,18).
What are the key properties of 7-(furan-2-yl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(furan-2-yl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 264.29 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3250887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).