ethyl 2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetate

C10H11N5O2 — CID 39860347

IUPACethyl 2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetate
SMILESCCOC(=O)Cc1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C10H11N5O2/c1-2-17-9(16)5-8-13-10(15-14-8)7-6-11-3-4-12-7/h3-4,6H,2,5H2,1H3,(H,13,14,15)
InChIKeyXHVPPOYMAZYQBU-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.37
Rot. Bonds4

About ethyl 2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetate

ethyl 2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetate (PubChem CID 39860347) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is ethyl 2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetate
PubChem CID39860347
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Nameethyl 2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetate
SMILESCCOC(=O)Cc1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C10H11N5O2/c1-2-17-9(16)5-8-13-10(15-14-8)7-6-11-3-4-12-7/h3-4,6H,2,5H2,1H3,(H,13,14,15)
InChIKeyXHVPPOYMAZYQBU-UHFFFAOYSA-N
XLogP0.37
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetate?
The IUPAC name of ethyl 2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetate (CID 39860347) is ethyl 2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetate.
What is the SMILES notation for ethyl 2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetate?
The canonical SMILES for ethyl 2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetate is CCOC(=O)Cc1nc(-c2cnccn2)n[nH]1.
What is the InChIKey of ethyl 2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetate?
The InChIKey is XHVPPOYMAZYQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-2-17-9(16)5-8-13-10(15-14-8)7-6-11-3-4-12-7/h3-4,6H,2,5H2,1H3,(H,13,14,15).
What are the key properties of ethyl 2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetate?
ethyl 2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetate has a molecular weight of 233.23 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetate is sourced from PubChem (CID 39860347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).