N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide

C18H15N5O2 — CID 5198984

IUPACN-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SMILESO=C1CC(c2ccccc2)n2nc(NC(=O)c3ccccc3)nc2N1
InChIInChI=1S/C18H15N5O2/c24-15-11-14(12-7-3-1-4-8-12)23-18(19-15)21-17(22-23)20-16(25)13-9-5-2-6-10-13/h1-10,14H,11H2,(H2,19,20,21,22,24,25)
InChIKeyWAFXEXACUNLMEV-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.46
Rot. Bonds3

About N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide

N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide (PubChem CID 5198984) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
PubChem CID5198984
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC NameN-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SMILESO=C1CC(c2ccccc2)n2nc(NC(=O)c3ccccc3)nc2N1
InChIInChI=1S/C18H15N5O2/c24-15-11-14(12-7-3-1-4-8-12)23-18(19-15)21-17(22-23)20-16(25)13-9-5-2-6-10-13/h1-10,14H,11H2,(H2,19,20,21,22,24,25)
InChIKeyWAFXEXACUNLMEV-UHFFFAOYSA-N
XLogP2.46
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The IUPAC name of N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide (CID 5198984) is N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide.
What is the SMILES notation for N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The canonical SMILES for N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is O=C1CC(c2ccccc2)n2nc(NC(=O)c3ccccc3)nc2N1.
What is the InChIKey of N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The InChIKey is WAFXEXACUNLMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c24-15-11-14(12-7-3-1-4-8-12)23-18(19-15)21-17(22-23)20-16(25)13-9-5-2-6-10-13/h1-10,14H,11H2,(H2,19,20,21,22,24,25).
What are the key properties of N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide has a molecular weight of 333.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is sourced from PubChem (CID 5198984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).