3-ethyl-5,8-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine

C9H12N4 — CID 600494

IUPAC3-ethyl-5,8-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCc1nnc2c(C)ncc(C)n12
InChIInChI=1S/C9H12N4/c1-4-8-11-12-9-7(3)10-5-6(2)13(8)9/h5H,4H2,1-3H3
InChIKeyPFIAYICGLTURKV-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.30
Rot. Bonds1

About 3-ethyl-5,8-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine

3-ethyl-5,8-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 600494) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-ethyl-5,8-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-ethyl-5,8-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID600494
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name3-ethyl-5,8-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCc1nnc2c(C)ncc(C)n12
InChIInChI=1S/C9H12N4/c1-4-8-11-12-9-7(3)10-5-6(2)13(8)9/h5H,4H2,1-3H3
InChIKeyPFIAYICGLTURKV-UHFFFAOYSA-N
XLogP1.30
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,8-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-ethyl-5,8-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine (CID 600494) is 3-ethyl-5,8-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-ethyl-5,8-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-ethyl-5,8-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine is CCc1nnc2c(C)ncc(C)n12.
What is the InChIKey of 3-ethyl-5,8-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is PFIAYICGLTURKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-4-8-11-12-9-7(3)10-5-6(2)13(8)9/h5H,4H2,1-3H3.
What are the key properties of 3-ethyl-5,8-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine?
3-ethyl-5,8-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 176.22 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,8-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 600494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).