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

C8H9N5O2 — CID 63613790

IUPAC5-ethyl-4-hydroxy-2-(1H-1,2,4-triazol-5-yl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(-c2ncn[nH]2)[nH]c1=O
InChIInChI=1S/C8H9N5O2/c1-2-4-7(14)11-6(12-8(4)15)5-9-3-10-13-5/h3H,2H2,1H3,(H,9,10,13)(H2,11,12,14,15)
InChIKeyRVBYGMLGVPTMOJ-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.18
Rot. Bonds2

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

5-ethyl-4-hydroxy-2-(1H-1,2,4-triazol-5-yl)-1H-pyrimidin-6-one (PubChem CID 63613790) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-(1H-1,2,4-triazol-5-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-(1H-1,2,4-triazol-5-yl)-1H-pyrimidin-6-one
PubChem CID63613790
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name5-ethyl-4-hydroxy-2-(1H-1,2,4-triazol-5-yl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(-c2ncn[nH]2)[nH]c1=O
InChIInChI=1S/C8H9N5O2/c1-2-4-7(14)11-6(12-8(4)15)5-9-3-10-13-5/h3H,2H2,1H3,(H,9,10,13)(H2,11,12,14,15)
InChIKeyRVBYGMLGVPTMOJ-UHFFFAOYSA-N
XLogP-0.18
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-(1H-1,2,4-triazol-5-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-(1H-1,2,4-triazol-5-yl)-1H-pyrimidin-6-one (CID 63613790) is 5-ethyl-4-hydroxy-2-(1H-1,2,4-triazol-5-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-(1H-1,2,4-triazol-5-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-(1H-1,2,4-triazol-5-yl)-1H-pyrimidin-6-one is CCc1c(O)nc(-c2ncn[nH]2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-(1H-1,2,4-triazol-5-yl)-1H-pyrimidin-6-one?
The InChIKey is RVBYGMLGVPTMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c1-2-4-7(14)11-6(12-8(4)15)5-9-3-10-13-5/h3H,2H2,1H3,(H,9,10,13)(H2,11,12,14,15).
What are the key properties of 5-ethyl-4-hydroxy-2-(1H-1,2,4-triazol-5-yl)-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-(1H-1,2,4-triazol-5-yl)-1H-pyrimidin-6-one has a molecular weight of 207.19 g/mol, XLogP of -0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-(1H-1,2,4-triazol-5-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 63613790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).