2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide

C14H13N5O2 — CID 50927797

IUPAC2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide
SMILESCc1nc(-c2ccccc2)cc2nn(CC(N)=O)c(=O)n12
InChIInChI=1S/C14H13N5O2/c1-9-16-11(10-5-3-2-4-6-10)7-13-17-18(8-12(15)20)14(21)19(9)13/h2-7H,8H2,1H3,(H2,15,20)
InChIKeyLZTJFTSCPJKYHM-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.35
Rot. Bonds3

About 2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide

2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide (PubChem CID 50927797) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide
PubChem CID50927797
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide
SMILESCc1nc(-c2ccccc2)cc2nn(CC(N)=O)c(=O)n12
InChIInChI=1S/C14H13N5O2/c1-9-16-11(10-5-3-2-4-6-10)7-13-17-18(8-12(15)20)14(21)19(9)13/h2-7H,8H2,1H3,(H2,15,20)
InChIKeyLZTJFTSCPJKYHM-UHFFFAOYSA-N
XLogP0.35
TPSA95.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide?
The IUPAC name of 2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide (CID 50927797) is 2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide?
The canonical SMILES for 2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide is Cc1nc(-c2ccccc2)cc2nn(CC(N)=O)c(=O)n12.
What is the InChIKey of 2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide?
The InChIKey is LZTJFTSCPJKYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-9-16-11(10-5-3-2-4-6-10)7-13-17-18(8-12(15)20)14(21)19(9)13/h2-7H,8H2,1H3,(H2,15,20).
What are the key properties of 2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide?
2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide has a molecular weight of 283.29 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 50927797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).