5-[(4-ethylphenoxy)methyl]-6-fluoro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C14H13FN4O2 — CID 58448151

IUPAC5-[(4-ethylphenoxy)methyl]-6-fluoro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1ccc(OCc2nc3nc[nH]n3c(=O)c2F)cc1
InChIInChI=1S/C14H13FN4O2/c1-2-9-3-5-10(6-4-9)21-7-11-12(15)13(20)19-14(18-11)16-8-17-19/h3-6,8H,2,7H2,1H3,(H,16,17,18)
InChIKeyRZGMFZRFZGKXMV-UHFFFAOYSA-N
MW288.28 g/mol
LogP1.70
Rot. Bonds4

About 5-[(4-ethylphenoxy)methyl]-6-fluoro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-[(4-ethylphenoxy)methyl]-6-fluoro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 58448151) has the molecular formula C14H13FN4O2 and a molecular weight of 288.28 g/mol. Its IUPAC name is 5-[(4-ethylphenoxy)methyl]-6-fluoro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(4-ethylphenoxy)methyl]-6-fluoro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID58448151
Molecular FormulaC14H13FN4O2
Molecular Weight288.28 g/mol
Exact Mass288.10
IUPAC Name5-[(4-ethylphenoxy)methyl]-6-fluoro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1ccc(OCc2nc3nc[nH]n3c(=O)c2F)cc1
InChIInChI=1S/C14H13FN4O2/c1-2-9-3-5-10(6-4-9)21-7-11-12(15)13(20)19-14(18-11)16-8-17-19/h3-6,8H,2,7H2,1H3,(H,16,17,18)
InChIKeyRZGMFZRFZGKXMV-UHFFFAOYSA-N
XLogP1.70
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylphenoxy)methyl]-6-fluoro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(4-ethylphenoxy)methyl]-6-fluoro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 58448151) is 5-[(4-ethylphenoxy)methyl]-6-fluoro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(4-ethylphenoxy)methyl]-6-fluoro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(4-ethylphenoxy)methyl]-6-fluoro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCc1ccc(OCc2nc3nc[nH]n3c(=O)c2F)cc1.
What is the InChIKey of 5-[(4-ethylphenoxy)methyl]-6-fluoro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is RZGMFZRFZGKXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2/c1-2-9-3-5-10(6-4-9)21-7-11-12(15)13(20)19-14(18-11)16-8-17-19/h3-6,8H,2,7H2,1H3,(H,16,17,18).
What are the key properties of 5-[(4-ethylphenoxy)methyl]-6-fluoro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[(4-ethylphenoxy)methyl]-6-fluoro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 288.28 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylphenoxy)methyl]-6-fluoro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 58448151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).