2-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyrazine

C13H11N5O — CID 10422379

IUPAC2-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyrazine
SMILESCOc1cccc(-c2n[nH]c(-c3cnccn3)n2)c1
InChIInChI=1S/C13H11N5O/c1-19-10-4-2-3-9(7-10)12-16-13(18-17-12)11-8-14-5-6-15-11/h2-8H,1H3,(H,16,17,18)
InChIKeyVBSNIWLAYCAIMY-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.94
Rot. Bonds3

About 2-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyrazine

2-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyrazine (PubChem CID 10422379) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyrazine.

Molecular Properties

Compound Name2-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyrazine
PubChem CID10422379
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name2-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyrazine
SMILESCOc1cccc(-c2n[nH]c(-c3cnccn3)n2)c1
InChIInChI=1S/C13H11N5O/c1-19-10-4-2-3-9(7-10)12-16-13(18-17-12)11-8-14-5-6-15-11/h2-8H,1H3,(H,16,17,18)
InChIKeyVBSNIWLAYCAIMY-UHFFFAOYSA-N
XLogP1.94
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyrazine?
The IUPAC name of 2-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyrazine (CID 10422379) is 2-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyrazine.
What is the SMILES notation for 2-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyrazine?
The canonical SMILES for 2-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyrazine is COc1cccc(-c2n[nH]c(-c3cnccn3)n2)c1.
What is the InChIKey of 2-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyrazine?
The InChIKey is VBSNIWLAYCAIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c1-19-10-4-2-3-9(7-10)12-16-13(18-17-12)11-8-14-5-6-15-11/h2-8H,1H3,(H,16,17,18).
What are the key properties of 2-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyrazine?
2-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyrazine has a molecular weight of 253.27 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyrazine is sourced from PubChem (CID 10422379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).