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

C22H17N5O2 — CID 644387

IUPACN-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nc2n(n1)C(c1ccccc1)C=C(c1ccccc1)N2)c1ccco1
InChIInChI=1S/C22H17N5O2/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/h1-14,18H,(H2,23,24,25,26,28)
InChIKeyXJOXEHFVORAMRL-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.18
Rot. Bonds4

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

N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide (PubChem CID 644387) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide
PubChem CID644387
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC NameN-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nc2n(n1)C(c1ccccc1)C=C(c1ccccc1)N2)c1ccco1
InChIInChI=1S/C22H17N5O2/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/h1-14,18H,(H2,23,24,25,26,28)
InChIKeyXJOXEHFVORAMRL-UHFFFAOYSA-N
XLogP4.18
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-benzamido-1-phenyl-1H-1,2,4-triazol-5-yl)furan-2-carboxamide
CID 660706
N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide
CID 665804
5-(4-Fluorophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3529457
N-[5-(4-chlorophenyl)-7-phenyl-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide
CID 665795
N-[5-(4-Chlorophenyl)-7-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidin-2-YL]furan-2-carboxamide
CID 2945756
N-[7-(4-fluorophenyl)-5-(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide
CID 3727561
5-(Biphenyl-4-yl)-7-(furan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 665451
N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-furancarboxamide
CID 665516
N,N'-dibenzyl-1-(2-furoyl)-1H-1,2,4-triazole-3,5-diamine
CID 2243191
5-(4-Fluorophenyl)-7-(furan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 2931020
1-[5-(2-Furanylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-2-phenylethanone
CID 3896375
N-[5,7-bis(4-chlorophenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide
CID 664173

Frequently Asked Questions

What is the IUPAC name of N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide?
The IUPAC name of N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide (CID 644387) is N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide is O=C(Nc1nc2n(n1)C(c1ccccc1)C=C(c1ccccc1)N2)c1ccco1.
What is the InChIKey of N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide?
The InChIKey is XJOXEHFVORAMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2/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/h1-14,18H,(H2,23,24,25,26,28).
What are the key properties of N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide?
N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide is sourced from PubChem (CID 644387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).