2-phenyl-N-[(1R)-1-pyrazin-2-ylethyl]triazole-4-carboxamide

C15H14N6O — CID 155961647

IUPAC2-phenyl-N-[(1R)-1-pyrazin-2-ylethyl]triazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1cnn(-c2ccccc2)n1)c1cnccn1
InChIInChI=1S/C15H14N6O/c1-11(13-9-16-7-8-17-13)19-15(22)14-10-18-21(20-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,19,22)/t11-/m1/s1
InChIKeyCMSOUUAYAZWVOS-LLVKDONJSA-N
MW294.32 g/mol
LogP1.55
Rot. Bonds4

About 2-phenyl-N-[(1R)-1-pyrazin-2-ylethyl]triazole-4-carboxamide

2-phenyl-N-[(1R)-1-pyrazin-2-ylethyl]triazole-4-carboxamide (PubChem CID 155961647) has the molecular formula C15H14N6O and a molecular weight of 294.32 g/mol. Its IUPAC name is 2-phenyl-N-[(1R)-1-pyrazin-2-ylethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[(1R)-1-pyrazin-2-ylethyl]triazole-4-carboxamide
PubChem CID155961647
Molecular FormulaC15H14N6O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name2-phenyl-N-[(1R)-1-pyrazin-2-ylethyl]triazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1cnn(-c2ccccc2)n1)c1cnccn1
InChIInChI=1S/C15H14N6O/c1-11(13-9-16-7-8-17-13)19-15(22)14-10-18-21(20-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,19,22)/t11-/m1/s1
InChIKeyCMSOUUAYAZWVOS-LLVKDONJSA-N
XLogP1.55
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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3-methyl-1-(2-phenyltriazol-4-yl)butan-1-one
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N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-2-phenyltriazole-4-carboxamide
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2-phenyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]triazole-4-carboxamide
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N,N-dimethyl-2-phenyltriazole-4-carboxamide
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N-[(2-phenyltriazol-4-yl)-pyrazin-2-ylmethyl]ethanamine
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N-(2-methyl-4-pyridinyl)-2-phenyltriazole-4-carboxamide
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CID 18152599

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(1R)-1-pyrazin-2-ylethyl]triazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-[(1R)-1-pyrazin-2-ylethyl]triazole-4-carboxamide (CID 155961647) is 2-phenyl-N-[(1R)-1-pyrazin-2-ylethyl]triazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-[(1R)-1-pyrazin-2-ylethyl]triazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-[(1R)-1-pyrazin-2-ylethyl]triazole-4-carboxamide is C[C@@H](NC(=O)c1cnn(-c2ccccc2)n1)c1cnccn1.
What is the InChIKey of 2-phenyl-N-[(1R)-1-pyrazin-2-ylethyl]triazole-4-carboxamide?
The InChIKey is CMSOUUAYAZWVOS-LLVKDONJSA-N. The full InChI is InChI=1S/C15H14N6O/c1-11(13-9-16-7-8-17-13)19-15(22)14-10-18-21(20-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,19,22)/t11-/m1/s1.
What are the key properties of 2-phenyl-N-[(1R)-1-pyrazin-2-ylethyl]triazole-4-carboxamide?
2-phenyl-N-[(1R)-1-pyrazin-2-ylethyl]triazole-4-carboxamide has a molecular weight of 294.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(1R)-1-pyrazin-2-ylethyl]triazole-4-carboxamide is sourced from PubChem (CID 155961647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).