2-(furan-2-yl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C15H10N4O2 — CID 1266395

IUPAC2-(furan-2-yl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccccc2)nc2nc(-c3ccco3)[nH]n12
InChIInChI=1S/C15H10N4O2/c20-13-9-11(10-5-2-1-3-6-10)16-15-17-14(18-19(13)15)12-7-4-8-21-12/h1-9H,(H,16,17,18)
InChIKeyNZRAWLSMQDHKCQ-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.34
Rot. Bonds2

About 2-(furan-2-yl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-(furan-2-yl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 1266395) has the molecular formula C15H10N4O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(furan-2-yl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID1266395
Molecular FormulaC15H10N4O2
Molecular Weight278.27 g/mol
Exact Mass278.08
IUPAC Name2-(furan-2-yl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccccc2)nc2nc(-c3ccco3)[nH]n12
InChIInChI=1S/C15H10N4O2/c20-13-9-11(10-5-2-1-3-6-10)16-15-17-14(18-19(13)15)12-7-4-8-21-12/h1-9H,(H,16,17,18)
InChIKeyNZRAWLSMQDHKCQ-UHFFFAOYSA-N
XLogP2.34
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-benzyl-2-(2-furyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrrolo[3,4-d]pyrimidine-5,8-dione
CID 2813284
6-Butyl-2-(2-furyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-7-one
CID 2818843
2-(2-Furyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 342597
2-[2-(2-furanyl)-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid methyl ester
CID 934559
2-Benzyl-5-furan-2-yl-2H-[1,2,4]triazole-3-thiol
CID 9881570
2-Furan-2-yl-5-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 707969
2-(Furan-2-yl)-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 1265958
2-(2-furanyl)-5-methyl-6-(phenylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 1942295
2-(Furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 2038794
5-(2-furylmethylene)-3-phenyl-2,5-dihydro-1,2,4-triazin-6(1H)-one
CID 5715100
3-(furan-2-yl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 164622252
2-(furan-2-yl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 164625578

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(furan-2-yl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 1266395) is 2-(furan-2-yl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(furan-2-yl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(furan-2-yl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1cc(-c2ccccc2)nc2nc(-c3ccco3)[nH]n12.
What is the InChIKey of 2-(furan-2-yl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is NZRAWLSMQDHKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2/c20-13-9-11(10-5-2-1-3-6-10)16-15-17-14(18-19(13)15)12-7-4-8-21-12/h1-9H,(H,16,17,18).
What are the key properties of 2-(furan-2-yl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-(furan-2-yl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 278.27 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 1266395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).