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

C18H13N5O2 — CID 930713

IUPACN-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SMILESO=C(Nc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1)c1ccccc1
InChIInChI=1S/C18H13N5O2/c24-15-11-14(12-7-3-1-4-8-12)19-18-21-17(22-23(15)18)20-16(25)13-9-5-2-6-10-13/h1-11H,(H2,19,20,21,22,25)
InChIKeyBMAZFRWHWZLBOJ-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.34
Rot. Bonds3

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

N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide (PubChem CID 930713) has the molecular formula C18H13N5O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
PubChem CID930713
Molecular FormulaC18H13N5O2
Molecular Weight331.34 g/mol
Exact Mass331.11
IUPAC NameN-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SMILESO=C(Nc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1)c1ccccc1
InChIInChI=1S/C18H13N5O2/c24-15-11-14(12-7-3-1-4-8-12)19-18-21-17(22-23(15)18)20-16(25)13-9-5-2-6-10-13/h1-11H,(H2,19,20,21,22,25)
InChIKeyBMAZFRWHWZLBOJ-UHFFFAOYSA-N
XLogP2.34
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The IUPAC name of N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide (CID 930713) is N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide.
What is the SMILES notation for N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The canonical SMILES for N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is O=C(Nc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1)c1ccccc1.
What is the InChIKey of N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The InChIKey is BMAZFRWHWZLBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2/c24-15-11-14(12-7-3-1-4-8-12)19-18-21-17(22-23(15)18)20-16(25)13-9-5-2-6-10-13/h1-11H,(H2,19,20,21,22,25).
What are the key properties of N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide has a molecular weight of 331.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is sourced from PubChem (CID 930713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).