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

C21H16N4O — CID 665451

IUPAC7-(furan-2-yl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESC1=C(c2ccc(-c3ccccc3)cc2)Nc2ncnn2C1c1ccco1
InChIInChI=1S/C21H16N4O/c1-2-5-15(6-3-1)16-8-10-17(11-9-16)18-13-19(20-7-4-12-26-20)25-21(24-18)22-14-23-25/h1-14,19H,(H,22,23,24)
InChIKeyMSMZLFRGZQEXER-UHFFFAOYSA-N
MW340.39 g/mol
LogP4.59
Rot. Bonds3

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

7-(furan-2-yl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 665451) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 7-(furan-2-yl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(furan-2-yl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID665451
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name7-(furan-2-yl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESC1=C(c2ccc(-c3ccccc3)cc2)Nc2ncnn2C1c1ccco1
InChIInChI=1S/C21H16N4O/c1-2-5-15(6-3-1)16-8-10-17(11-9-16)18-13-19(20-7-4-12-26-20)25-21(24-18)22-14-23-25/h1-14,19H,(H,22,23,24)
InChIKeyMSMZLFRGZQEXER-UHFFFAOYSA-N
XLogP4.59
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(furan-2-yl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 665451) is 7-(furan-2-yl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(furan-2-yl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(furan-2-yl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is C1=C(c2ccc(-c3ccccc3)cc2)Nc2ncnn2C1c1ccco1.
What is the InChIKey of 7-(furan-2-yl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is MSMZLFRGZQEXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c1-2-5-15(6-3-1)16-8-10-17(11-9-16)18-13-19(20-7-4-12-26-20)25-21(24-18)22-14-23-25/h1-14,19H,(H,22,23,24).
What are the key properties of 7-(furan-2-yl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(furan-2-yl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 340.39 g/mol, XLogP of 4.59, 3 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-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 665451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).