N-[2-(4-fluorophenyl)-2-methoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

C15H18FN5O2 — CID 139005521

IUPACN-[2-(4-fluorophenyl)-2-methoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESCOC(CNC(=O)N1CCn2cnnc2C1)c1ccc(F)cc1
InChIInChI=1S/C15H18FN5O2/c1-23-13(11-2-4-12(16)5-3-11)8-17-15(22)20-6-7-21-10-18-19-14(21)9-20/h2-5,10,13H,6-9H2,1H3,(H,17,22)
InChIKeyVPQRFNQJMITIOO-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.33
Rot. Bonds4

About N-[2-(4-fluorophenyl)-2-methoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

N-[2-(4-fluorophenyl)-2-methoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (PubChem CID 139005521) has the molecular formula C15H18FN5O2 and a molecular weight of 319.34 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-methoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-methoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
PubChem CID139005521
Molecular FormulaC15H18FN5O2
Molecular Weight319.34 g/mol
Exact Mass319.14
IUPAC NameN-[2-(4-fluorophenyl)-2-methoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESCOC(CNC(=O)N1CCn2cnnc2C1)c1ccc(F)cc1
InChIInChI=1S/C15H18FN5O2/c1-23-13(11-2-4-12(16)5-3-11)8-17-15(22)20-6-7-21-10-18-19-14(21)9-20/h2-5,10,13H,6-9H2,1H3,(H,17,22)
InChIKeyVPQRFNQJMITIOO-UHFFFAOYSA-N
XLogP1.33
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-methoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-methoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (CID 139005521) is N-[2-(4-fluorophenyl)-2-methoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-methoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-methoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is COC(CNC(=O)N1CCn2cnnc2C1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-methoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The InChIKey is VPQRFNQJMITIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O2/c1-23-13(11-2-4-12(16)5-3-11)8-17-15(22)20-6-7-21-10-18-19-14(21)9-20/h2-5,10,13H,6-9H2,1H3,(H,17,22).
What are the key properties of N-[2-(4-fluorophenyl)-2-methoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
N-[2-(4-fluorophenyl)-2-methoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide has a molecular weight of 319.34 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-methoxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is sourced from PubChem (CID 139005521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).