5-ethyl-1-phenyl-N-(3-pyrazol-1-ylpyrazin-2-yl)-1,2,4-triazole-3-carboxamide

C18H16N8O — CID 166323432

IUPAC5-ethyl-1-phenyl-N-(3-pyrazol-1-ylpyrazin-2-yl)-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)Nc2nccnc2-n2cccn2)nn1-c1ccccc1
InChIInChI=1S/C18H16N8O/c1-2-14-22-16(24-26(14)13-7-4-3-5-8-13)18(27)23-15-17(20-11-10-19-15)25-12-6-9-21-25/h3-12H,2H2,1H3,(H,19,23,27)
InChIKeyHQDIGXNHOWZNDE-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.06
Rot. Bonds5

About 5-ethyl-1-phenyl-N-(3-pyrazol-1-ylpyrazin-2-yl)-1,2,4-triazole-3-carboxamide

5-ethyl-1-phenyl-N-(3-pyrazol-1-ylpyrazin-2-yl)-1,2,4-triazole-3-carboxamide (PubChem CID 166323432) has the molecular formula C18H16N8O and a molecular weight of 360.38 g/mol. Its IUPAC name is 5-ethyl-1-phenyl-N-(3-pyrazol-1-ylpyrazin-2-yl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-phenyl-N-(3-pyrazol-1-ylpyrazin-2-yl)-1,2,4-triazole-3-carboxamide
PubChem CID166323432
Molecular FormulaC18H16N8O
Molecular Weight360.38 g/mol
Exact Mass360.14
IUPAC Name5-ethyl-1-phenyl-N-(3-pyrazol-1-ylpyrazin-2-yl)-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)Nc2nccnc2-n2cccn2)nn1-c1ccccc1
InChIInChI=1S/C18H16N8O/c1-2-14-22-16(24-26(14)13-7-4-3-5-8-13)18(27)23-15-17(20-11-10-19-15)25-12-6-9-21-25/h3-12H,2H2,1H3,(H,19,23,27)
InChIKeyHQDIGXNHOWZNDE-UHFFFAOYSA-N
XLogP2.06
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-phenyl-N-(3-pyrazol-1-ylpyrazin-2-yl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-ethyl-1-phenyl-N-(3-pyrazol-1-ylpyrazin-2-yl)-1,2,4-triazole-3-carboxamide (CID 166323432) is 5-ethyl-1-phenyl-N-(3-pyrazol-1-ylpyrazin-2-yl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-1-phenyl-N-(3-pyrazol-1-ylpyrazin-2-yl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-ethyl-1-phenyl-N-(3-pyrazol-1-ylpyrazin-2-yl)-1,2,4-triazole-3-carboxamide is CCc1nc(C(=O)Nc2nccnc2-n2cccn2)nn1-c1ccccc1.
What is the InChIKey of 5-ethyl-1-phenyl-N-(3-pyrazol-1-ylpyrazin-2-yl)-1,2,4-triazole-3-carboxamide?
The InChIKey is HQDIGXNHOWZNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8O/c1-2-14-22-16(24-26(14)13-7-4-3-5-8-13)18(27)23-15-17(20-11-10-19-15)25-12-6-9-21-25/h3-12H,2H2,1H3,(H,19,23,27).
What are the key properties of 5-ethyl-1-phenyl-N-(3-pyrazol-1-ylpyrazin-2-yl)-1,2,4-triazole-3-carboxamide?
5-ethyl-1-phenyl-N-(3-pyrazol-1-ylpyrazin-2-yl)-1,2,4-triazole-3-carboxamide has a molecular weight of 360.38 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-phenyl-N-(3-pyrazol-1-ylpyrazin-2-yl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 166323432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).