N-(5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide

C22H15N5O2 — CID 661823

IUPACN-(5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)c1ccco1
InChIInChI=1S/C22H15N5O2/c28-20(19-12-7-13-29-19)24-21-25-22-23-17(15-8-3-1-4-9-15)14-18(27(22)26-21)16-10-5-2-6-11-16/h1-14H,(H,24,26,28)
InChIKeyTZBVZOWUBHZKLX-UHFFFAOYSA-N
MW381.40 g/mol
LogP4.30
Rot. Bonds4

About N-(5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide

N-(5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide (PubChem CID 661823) has the molecular formula C22H15N5O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is N-(5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide
PubChem CID661823
Molecular FormulaC22H15N5O2
Molecular Weight381.40 g/mol
Exact Mass381.12
IUPAC NameN-(5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)c1ccco1
InChIInChI=1S/C22H15N5O2/c28-20(19-12-7-13-29-19)24-21-25-22-23-17(15-8-3-1-4-9-15)14-18(27(22)26-21)16-10-5-2-6-11-16/h1-14H,(H,24,26,28)
InChIKeyTZBVZOWUBHZKLX-UHFFFAOYSA-N
XLogP4.30
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide?
The IUPAC name of N-(5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide (CID 661823) is N-(5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide is O=C(Nc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)c1ccco1.
What is the InChIKey of N-(5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide?
The InChIKey is TZBVZOWUBHZKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O2/c28-20(19-12-7-13-29-19)24-21-25-22-23-17(15-8-3-1-4-9-15)14-18(27(22)26-21)16-10-5-2-6-11-16/h1-14H,(H,24,26,28).
What are the key properties of N-(5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide?
N-(5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide has a molecular weight of 381.40 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide is sourced from PubChem (CID 661823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).