(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-fluoro-2-hydroxyphenyl)methanone

C14H15FN4O2 — CID 136563533

IUPAC(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-fluoro-2-hydroxyphenyl)methanone
SMILESCCc1nnc2n1CCN(C(=O)c1cccc(F)c1O)C2
InChIInChI=1S/C14H15FN4O2/c1-2-11-16-17-12-8-18(6-7-19(11)12)14(21)9-4-3-5-10(15)13(9)20/h3-5,20H,2,6-8H2,1H3
InChIKeyJROJOUIIQHHCQQ-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.34
Rot. Bonds2

About (3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-fluoro-2-hydroxyphenyl)methanone

(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-fluoro-2-hydroxyphenyl)methanone (PubChem CID 136563533) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is (3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-fluoro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-fluoro-2-hydroxyphenyl)methanone
PubChem CID136563533
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-fluoro-2-hydroxyphenyl)methanone
SMILESCCc1nnc2n1CCN(C(=O)c1cccc(F)c1O)C2
InChIInChI=1S/C14H15FN4O2/c1-2-11-16-17-12-8-18(6-7-19(11)12)14(21)9-4-3-5-10(15)13(9)20/h3-5,20H,2,6-8H2,1H3
InChIKeyJROJOUIIQHHCQQ-UHFFFAOYSA-N
XLogP1.34
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-fluoro-2-hydroxyphenyl)methanone?
The IUPAC name of (3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-fluoro-2-hydroxyphenyl)methanone (CID 136563533) is (3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-fluoro-2-hydroxyphenyl)methanone.
What is the SMILES notation for (3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-fluoro-2-hydroxyphenyl)methanone?
The canonical SMILES for (3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-fluoro-2-hydroxyphenyl)methanone is CCc1nnc2n1CCN(C(=O)c1cccc(F)c1O)C2.
What is the InChIKey of (3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-fluoro-2-hydroxyphenyl)methanone?
The InChIKey is JROJOUIIQHHCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-2-11-16-17-12-8-18(6-7-19(11)12)14(21)9-4-3-5-10(15)13(9)20/h3-5,20H,2,6-8H2,1H3.
What are the key properties of (3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-fluoro-2-hydroxyphenyl)methanone?
(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-fluoro-2-hydroxyphenyl)methanone has a molecular weight of 290.30 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-fluoro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 136563533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).