5-ethyl-4-hydroxy-2-(2-phenyltriazol-4-yl)-1H-pyrimidin-6-one

C14H13N5O2 — CID 63611281

IUPAC5-ethyl-4-hydroxy-2-(2-phenyltriazol-4-yl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(-c2cnn(-c3ccccc3)n2)[nH]c1=O
InChIInChI=1S/C14H13N5O2/c1-2-10-13(20)16-12(17-14(10)21)11-8-15-19(18-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,16,17,20,21)
InChIKeyXVBRYIDEQJAJGH-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.29
Rot. Bonds3

About 5-ethyl-4-hydroxy-2-(2-phenyltriazol-4-yl)-1H-pyrimidin-6-one

5-ethyl-4-hydroxy-2-(2-phenyltriazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 63611281) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-(2-phenyltriazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-(2-phenyltriazol-4-yl)-1H-pyrimidin-6-one
PubChem CID63611281
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name5-ethyl-4-hydroxy-2-(2-phenyltriazol-4-yl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(-c2cnn(-c3ccccc3)n2)[nH]c1=O
InChIInChI=1S/C14H13N5O2/c1-2-10-13(20)16-12(17-14(10)21)11-8-15-19(18-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,16,17,20,21)
InChIKeyXVBRYIDEQJAJGH-UHFFFAOYSA-N
XLogP1.29
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-(2-phenyltriazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-(2-phenyltriazol-4-yl)-1H-pyrimidin-6-one (CID 63611281) is 5-ethyl-4-hydroxy-2-(2-phenyltriazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-(2-phenyltriazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-(2-phenyltriazol-4-yl)-1H-pyrimidin-6-one is CCc1c(O)nc(-c2cnn(-c3ccccc3)n2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-(2-phenyltriazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is XVBRYIDEQJAJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-2-10-13(20)16-12(17-14(10)21)11-8-15-19(18-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,16,17,20,21).
What are the key properties of 5-ethyl-4-hydroxy-2-(2-phenyltriazol-4-yl)-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-(2-phenyltriazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 283.29 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-(2-phenyltriazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 63611281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).