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

C18H13N5O — CID 707946

IUPACN-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SMILESO=C(Nc1nc2nccc(-c3ccccc3)n2n1)c1ccccc1
InChIInChI=1S/C18H13N5O/c24-16(14-9-5-2-6-10-14)20-17-21-18-19-12-11-15(23(18)22-17)13-7-3-1-4-8-13/h1-12H,(H,20,22,24)
InChIKeyULZRSQREYWUMAP-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.04
Rot. Bonds3

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

N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide (PubChem CID 707946) has the molecular formula C18H13N5O and a molecular weight of 315.34 g/mol. Its IUPAC name is N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
PubChem CID707946
Molecular FormulaC18H13N5O
Molecular Weight315.34 g/mol
Exact Mass315.11
IUPAC NameN-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
SMILESO=C(Nc1nc2nccc(-c3ccccc3)n2n1)c1ccccc1
InChIInChI=1S/C18H13N5O/c24-16(14-9-5-2-6-10-14)20-17-21-18-19-12-11-15(23(18)22-17)13-7-3-1-4-8-13/h1-12H,(H,20,22,24)
InChIKeyULZRSQREYWUMAP-UHFFFAOYSA-N
XLogP3.04
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The IUPAC name of N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide (CID 707946) is N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide.
What is the SMILES notation for N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The canonical SMILES for N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is O=C(Nc1nc2nccc(-c3ccccc3)n2n1)c1ccccc1.
What is the InChIKey of N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
The InChIKey is ULZRSQREYWUMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O/c24-16(14-9-5-2-6-10-14)20-17-21-18-19-12-11-15(23(18)22-17)13-7-3-1-4-8-13/h1-12H,(H,20,22,24).
What are the key properties of N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide?
N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide has a molecular weight of 315.34 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide is sourced from PubChem (CID 707946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).