N-(4-ethoxyphenyl)-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide

C15H15N5O3 — CID 91891386

IUPACN-(4-ethoxyphenyl)-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2nnn3cc(C)[nH]c(=O)c23)cc1
InChIInChI=1S/C15H15N5O3/c1-3-23-11-6-4-10(5-7-11)17-14(21)12-13-15(22)16-9(2)8-20(13)19-18-12/h4-8H,3H2,1-2H3,(H,16,22)(H,17,21)
InChIKeyWNPXVXNFCIRZPU-UHFFFAOYSA-N
MW313.32 g/mol
LogP1.38
Rot. Bonds4

About N-(4-ethoxyphenyl)-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide

N-(4-ethoxyphenyl)-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 91891386) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID91891386
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC NameN-(4-ethoxyphenyl)-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2nnn3cc(C)[nH]c(=O)c23)cc1
InChIInChI=1S/C15H15N5O3/c1-3-23-11-6-4-10(5-7-11)17-14(21)12-13-15(22)16-9(2)8-20(13)19-18-12/h4-8H,3H2,1-2H3,(H,16,22)(H,17,21)
InChIKeyWNPXVXNFCIRZPU-UHFFFAOYSA-N
XLogP1.38
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide (CID 91891386) is N-(4-ethoxyphenyl)-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide is CCOc1ccc(NC(=O)c2nnn3cc(C)[nH]c(=O)c23)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is WNPXVXNFCIRZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-3-23-11-6-4-10(5-7-11)17-14(21)12-13-15(22)16-9(2)8-20(13)19-18-12/h4-8H,3H2,1-2H3,(H,16,22)(H,17,21).
What are the key properties of N-(4-ethoxyphenyl)-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
N-(4-ethoxyphenyl)-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 313.32 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 91891386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).