5-[2-(2-phenyltriazol-4-yl)ethylamino]pyrazine-2-carboxylic acid

C15H14N6O2 — CID 166401660

IUPAC5-[2-(2-phenyltriazol-4-yl)ethylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCCc2cnn(-c3ccccc3)n2)cn1
InChIInChI=1S/C15H14N6O2/c22-15(23)13-9-18-14(10-17-13)16-7-6-11-8-19-21(20-11)12-4-2-1-3-5-12/h1-5,8-10H,6-7H2,(H,16,18)(H,22,23)
InChIKeyYJADGZRAZUAXCY-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.41
Rot. Bonds6

About 5-[2-(2-phenyltriazol-4-yl)ethylamino]pyrazine-2-carboxylic acid

5-[2-(2-phenyltriazol-4-yl)ethylamino]pyrazine-2-carboxylic acid (PubChem CID 166401660) has the molecular formula C15H14N6O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is 5-[2-(2-phenyltriazol-4-yl)ethylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2-phenyltriazol-4-yl)ethylamino]pyrazine-2-carboxylic acid
PubChem CID166401660
Molecular FormulaC15H14N6O2
Molecular Weight310.32 g/mol
Exact Mass310.12
IUPAC Name5-[2-(2-phenyltriazol-4-yl)ethylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCCc2cnn(-c3ccccc3)n2)cn1
InChIInChI=1S/C15H14N6O2/c22-15(23)13-9-18-14(10-17-13)16-7-6-11-8-19-21(20-11)12-4-2-1-3-5-12/h1-5,8-10H,6-7H2,(H,16,18)(H,22,23)
InChIKeyYJADGZRAZUAXCY-UHFFFAOYSA-N
XLogP1.41
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2-phenyltriazol-4-yl)ethyl]but-2-ynamide
CID 146097973
2-chloro-N-[(2-phenyltriazol-4-yl)methyl]acetamide
CID 39871069
3,4-difluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide
CID 146152234
3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide
CID 146152232
azepan-1-yl-[5-(2-phenylethylamino)pyrazin-2-yl]methanone
CID 109283935
5-[4-(2-phenylethoxy)butylamino]pyrazine-2-carboxylic acid
CID 122047825
2-fluoro-3-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide
CID 146152227
4-[(2-phenyltriazol-4-yl)methylcarbamoyl]benzoic acid
CID 167931495
5-[2-(3-methoxyphenyl)ethylamino]pyrazine-2-carboxylic acid
CID 107853484
5-(2-acetamidoethylamino)pyrazine-2-carboxylic acid
CID 107372326
5-[2-(4-phenylpiperazin-1-yl)propylamino]pyrazine-2-carboxylic acid
CID 122047756
N-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride
CID 71758233

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-phenyltriazol-4-yl)ethylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[2-(2-phenyltriazol-4-yl)ethylamino]pyrazine-2-carboxylic acid (CID 166401660) is 5-[2-(2-phenyltriazol-4-yl)ethylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(2-phenyltriazol-4-yl)ethylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[2-(2-phenyltriazol-4-yl)ethylamino]pyrazine-2-carboxylic acid is O=C(O)c1cnc(NCCc2cnn(-c3ccccc3)n2)cn1.
What is the InChIKey of 5-[2-(2-phenyltriazol-4-yl)ethylamino]pyrazine-2-carboxylic acid?
The InChIKey is YJADGZRAZUAXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2/c22-15(23)13-9-18-14(10-17-13)16-7-6-11-8-19-21(20-11)12-4-2-1-3-5-12/h1-5,8-10H,6-7H2,(H,16,18)(H,22,23).
What are the key properties of 5-[2-(2-phenyltriazol-4-yl)ethylamino]pyrazine-2-carboxylic acid?
5-[2-(2-phenyltriazol-4-yl)ethylamino]pyrazine-2-carboxylic acid has a molecular weight of 310.32 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-phenyltriazol-4-yl)ethylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 166401660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).