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

C16H10F2N4O — CID 75465947

IUPAC2-[(3,5-difluorophenyl)methyl]-7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1cc(F)cc(Cc2nc3nccc(-c4ccco4)n3n2)c1
InChIInChI=1S/C16H10F2N4O/c17-11-6-10(7-12(18)9-11)8-15-20-16-19-4-3-13(22(16)21-15)14-2-1-5-23-14/h1-7,9H,8H2
InChIKeyVPWFAKILLIWNOX-UHFFFAOYSA-N
MW312.28 g/mol
LogP3.25
Rot. Bonds3

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

2-[(3,5-difluorophenyl)methyl]-7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 75465947) has the molecular formula C16H10F2N4O and a molecular weight of 312.28 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID75465947
Molecular FormulaC16H10F2N4O
Molecular Weight312.28 g/mol
Exact Mass312.08
IUPAC Name2-[(3,5-difluorophenyl)methyl]-7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFc1cc(F)cc(Cc2nc3nccc(-c4ccco4)n3n2)c1
InChIInChI=1S/C16H10F2N4O/c17-11-6-10(7-12(18)9-11)8-15-20-16-19-4-3-13(22(16)21-15)14-2-1-5-23-14/h1-7,9H,8H2
InChIKeyVPWFAKILLIWNOX-UHFFFAOYSA-N
XLogP3.25
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Furanyl)-7-(2-phenylethyl)-7H-pyrazolo(4,3-e)(1,2,4)triazolo(1,5-c)pyrimidin-5-amine
CID 176408
1,2,4-Triazolo(4,3-a)pyridine, 6-(4-(2,5-difluorophenyl)-5-oxazolyl)-3-(1-methylethyl)-
CID 9949821
7-(Furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 6485369
Triazolopyridine oxazole inhibitor 56
CID 23647340
2-(2-Furanyl)-7-(3-phenylpropyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 9798914
Triazolopyridine oxazole inhibitor 41
CID 9944440
1,2,4-Triazolo[4,3-A]pyridine, 3-(1,1-dimethylethyl)-6-[4-(2,4,5-trifluorophenyl)-5-oxazolyl]-
CID 9999342
Triazolopyridine oxazole inhibitor 22
CID 10043924
Triazolopyridine oxazole inhibitor 20
CID 10043925
Triazolopyridine oxazole inhibitor 23
CID 10089749
Triazolopyridine oxazole inhibitor 24
CID 10361020
Triazolopyridine oxazole inhibitor 21
CID 10473563

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]-7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 75465947) is 2-[(3,5-difluorophenyl)methyl]-7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is Fc1cc(F)cc(Cc2nc3nccc(-c4ccco4)n3n2)c1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is VPWFAKILLIWNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N4O/c17-11-6-10(7-12(18)9-11)8-15-20-16-19-4-3-13(22(16)21-15)14-2-1-5-23-14/h1-7,9H,8H2.
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
2-[(3,5-difluorophenyl)methyl]-7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 312.28 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methyl]-7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 75465947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).