2-[2-(2-aminophenyl)ethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C14H15N5O — CID 107273700

IUPAC2-[2-(2-aminophenyl)ethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(CCc3ccccc3N)nc2n1
InChIInChI=1S/C14H15N5O/c1-9-8-13(20)19-14(16-9)17-12(18-19)7-6-10-4-2-3-5-11(10)15/h2-5,8H,6-7,15H2,1H3,(H,16,17,18)
InChIKeyODKZLANUKUYKAK-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.09
Rot. Bonds3

About 2-[2-(2-aminophenyl)ethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-[2-(2-aminophenyl)ethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 107273700) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-[2-(2-aminophenyl)ethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[2-(2-aminophenyl)ethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID107273700
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-[2-(2-aminophenyl)ethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(CCc3ccccc3N)nc2n1
InChIInChI=1S/C14H15N5O/c1-9-8-13(20)19-14(16-9)17-12(18-19)7-6-10-4-2-3-5-11(10)15/h2-5,8H,6-7,15H2,1H3,(H,16,17,18)
InChIKeyODKZLANUKUYKAK-UHFFFAOYSA-N
XLogP1.09
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminophenyl)ethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[2-(2-aminophenyl)ethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 107273700) is 2-[2-(2-aminophenyl)ethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[2-(2-aminophenyl)ethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[2-(2-aminophenyl)ethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(CCc3ccccc3N)nc2n1.
What is the InChIKey of 2-[2-(2-aminophenyl)ethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ODKZLANUKUYKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-9-8-13(20)19-14(16-9)17-12(18-19)7-6-10-4-2-3-5-11(10)15/h2-5,8H,6-7,15H2,1H3,(H,16,17,18).
What are the key properties of 2-[2-(2-aminophenyl)ethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-[2-(2-aminophenyl)ethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 269.31 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminophenyl)ethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 107273700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).