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

C13H11N5O2 — CID 614787

IUPACN-(7-oxo-5-phenyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1nc2n(n1)C(=O)CC(c1ccccc1)=N2
InChIInChI=1S/C13H11N5O2/c1-8(19)14-12-16-13-15-10(7-11(20)18(13)17-12)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,17,19)
InChIKeyRZMFOHAZYKEAHB-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.40
Rot. Bonds2

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

N-(7-oxo-5-phenyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (PubChem CID 614787) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-(7-oxo-5-phenyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(7-oxo-5-phenyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
PubChem CID614787
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC NameN-(7-oxo-5-phenyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1nc2n(n1)C(=O)CC(c1ccccc1)=N2
InChIInChI=1S/C13H11N5O2/c1-8(19)14-12-16-13-15-10(7-11(20)18(13)17-12)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,17,19)
InChIKeyRZMFOHAZYKEAHB-UHFFFAOYSA-N
XLogP1.40
TPSA89.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 136312797
CID 136312797
CID 135472109
CID 135472109
CID 145917620
CID 145917620
CID 517704
CID 517704
CID 11358872
CID 11358872
CID 33701145
CID 33701145
CID 33701149
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CID 47000444
CID 47000444

Frequently Asked Questions

What is the IUPAC name of N-(7-oxo-5-phenyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The IUPAC name of N-(7-oxo-5-phenyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (CID 614787) is N-(7-oxo-5-phenyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(7-oxo-5-phenyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The canonical SMILES for N-(7-oxo-5-phenyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is CC(=O)Nc1nc2n(n1)C(=O)CC(c1ccccc1)=N2.
What is the InChIKey of N-(7-oxo-5-phenyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The InChIKey is RZMFOHAZYKEAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c1-8(19)14-12-16-13-15-10(7-11(20)18(13)17-12)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,17,19).
What are the key properties of N-(7-oxo-5-phenyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
N-(7-oxo-5-phenyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide has a molecular weight of 269.26 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxo-5-phenyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 614787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).