N-[3-[7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide

C17H15N5O2 — CID 3688325

IUPACN-[3-[7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2=CC(c3ccco3)n3ncnc3N2)c1
InChIInChI=1S/C17H15N5O2/c1-11(23)20-13-5-2-4-12(8-13)14-9-15(16-6-3-7-24-16)22-17(21-14)18-10-19-22/h2-10,15H,1H3,(H,20,23)(H,18,19,21)
InChIKeyWGGSVKHCGWOKON-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.89
Rot. Bonds3

About N-[3-[7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide

N-[3-[7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide (PubChem CID 3688325) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-[3-[7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide
PubChem CID3688325
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC NameN-[3-[7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2=CC(c3ccco3)n3ncnc3N2)c1
InChIInChI=1S/C17H15N5O2/c1-11(23)20-13-5-2-4-12(8-13)14-9-15(16-6-3-7-24-16)22-17(21-14)18-10-19-22/h2-10,15H,1H3,(H,20,23)(H,18,19,21)
InChIKeyWGGSVKHCGWOKON-UHFFFAOYSA-N
XLogP2.89
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-Fluorophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3529457
5-(Biphenyl-4-yl)-7-(furan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 665451
5-methyl-7-(5-methylfuran-2-yl)-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 667099
5-(4-Fluorophenyl)-7-(furan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 2931020
5-(4-Chlorophenyl)-7-(2-furyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 2932207
5-(4-Bromophenyl)-7-(furan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 2933809
1-[[(5-amino-1H-tetrazol-1-yl)acetyl](2-furylmethyl)amino]-N-(2,6-dimethylphenyl)cyclohexanecarboxamide
CID 1258197
5-(2-Chlorophenyl)-7-(furan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 3723129
N-(2-methoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 666272
2-(Furan-2-YL)-5-methyl-N,7-diphenyl-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 3612271
N-(2-ethoxyphenyl)-7-(furan-2-yl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135410524
N-benzyl-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 667190

Frequently Asked Questions

What is the IUPAC name of N-[3-[7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide?
The IUPAC name of N-[3-[7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide (CID 3688325) is N-[3-[7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2=CC(c3ccco3)n3ncnc3N2)c1.
What is the InChIKey of N-[3-[7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide?
The InChIKey is WGGSVKHCGWOKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-11(23)20-13-5-2-4-12(8-13)14-9-15(16-6-3-7-24-16)22-17(21-14)18-10-19-22/h2-10,15H,1H3,(H,20,23)(H,18,19,21).
What are the key properties of N-[3-[7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide?
N-[3-[7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide has a molecular weight of 321.34 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl]acetamide is sourced from PubChem (CID 3688325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).