2-ethyl-5-(1,2,4-triazol-4-yl)pyrazine

C8H9N5 — CID 59113538

IUPAC2-ethyl-5-(1,2,4-triazol-4-yl)pyrazine
SMILESCCc1cnc(-n2cnnc2)cn1
InChIInChI=1S/C8H9N5/c1-2-7-3-10-8(4-9-7)13-5-11-12-6-13/h3-6H,2H2,1H3
InChIKeyKMBDNDNIEYIWOI-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.62
Rot. Bonds2

About 2-ethyl-5-(1,2,4-triazol-4-yl)pyrazine

2-ethyl-5-(1,2,4-triazol-4-yl)pyrazine (PubChem CID 59113538) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-ethyl-5-(1,2,4-triazol-4-yl)pyrazine.

Molecular Properties

Compound Name2-ethyl-5-(1,2,4-triazol-4-yl)pyrazine
PubChem CID59113538
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name2-ethyl-5-(1,2,4-triazol-4-yl)pyrazine
SMILESCCc1cnc(-n2cnnc2)cn1
InChIInChI=1S/C8H9N5/c1-2-7-3-10-8(4-9-7)13-5-11-12-6-13/h3-6H,2H2,1H3
InChIKeyKMBDNDNIEYIWOI-UHFFFAOYSA-N
XLogP0.62
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-5-(1,2,4-triazol-4-yl)pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(1,2,4-triazol-4-yl)pyrazine?
The IUPAC name of 2-ethyl-5-(1,2,4-triazol-4-yl)pyrazine (CID 59113538) is 2-ethyl-5-(1,2,4-triazol-4-yl)pyrazine.
What is the SMILES notation for 2-ethyl-5-(1,2,4-triazol-4-yl)pyrazine?
The canonical SMILES for 2-ethyl-5-(1,2,4-triazol-4-yl)pyrazine is CCc1cnc(-n2cnnc2)cn1.
What is the InChIKey of 2-ethyl-5-(1,2,4-triazol-4-yl)pyrazine?
The InChIKey is KMBDNDNIEYIWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-2-7-3-10-8(4-9-7)13-5-11-12-6-13/h3-6H,2H2,1H3.
What are the key properties of 2-ethyl-5-(1,2,4-triazol-4-yl)pyrazine?
2-ethyl-5-(1,2,4-triazol-4-yl)pyrazine has a molecular weight of 175.19 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(1,2,4-triazol-4-yl)pyrazine is sourced from PubChem (CID 59113538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).