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

C16H17N5O2 — CID 91891366

IUPACN-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide
SMILESCCc1ccc(CNC(=O)c2nnn3cc(C)[nH]c(=O)c23)cc1
InChIInChI=1S/C16H17N5O2/c1-3-11-4-6-12(7-5-11)8-17-15(22)13-14-16(23)18-10(2)9-21(14)20-19-13/h4-7,9H,3,8H2,1-2H3,(H,17,22)(H,18,23)
InChIKeyGMIWWTSUEBGVRR-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.22
Rot. Bonds4

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

N-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 91891366) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID91891366
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC NameN-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide
SMILESCCc1ccc(CNC(=O)c2nnn3cc(C)[nH]c(=O)c23)cc1
InChIInChI=1S/C16H17N5O2/c1-3-11-4-6-12(7-5-11)8-17-15(22)13-14-16(23)18-10(2)9-21(14)20-19-13/h4-7,9H,3,8H2,1-2H3,(H,17,22)(H,18,23)
InChIKeyGMIWWTSUEBGVRR-UHFFFAOYSA-N
XLogP1.22
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide (CID 91891366) is N-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide is CCc1ccc(CNC(=O)c2nnn3cc(C)[nH]c(=O)c23)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is GMIWWTSUEBGVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-3-11-4-6-12(7-5-11)8-17-15(22)13-14-16(23)18-10(2)9-21(14)20-19-13/h4-7,9H,3,8H2,1-2H3,(H,17,22)(H,18,23).
What are the key properties of N-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
N-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 91891366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).