3,7-diethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C9H16N4 — CID 67522971

IUPAC3,7-diethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCc1nnc2n1CCN(CC)C2
InChIInChI=1S/C9H16N4/c1-3-8-10-11-9-7-12(4-2)5-6-13(8)9/h3-7H2,1-2H3
InChIKeyHIGMXJBJXCFDCE-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.68
Rot. Bonds2

About 3,7-diethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

3,7-diethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 67522971) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3,7-diethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3,7-diethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID67522971
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name3,7-diethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCc1nnc2n1CCN(CC)C2
InChIInChI=1S/C9H16N4/c1-3-8-10-11-9-7-12(4-2)5-6-13(8)9/h3-7H2,1-2H3
InChIKeyHIGMXJBJXCFDCE-UHFFFAOYSA-N
XLogP0.68
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,7-diethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3,7-diethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 67522971) is 3,7-diethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3,7-diethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3,7-diethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CCc1nnc2n1CCN(CC)C2.
What is the InChIKey of 3,7-diethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is HIGMXJBJXCFDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-3-8-10-11-9-7-12(4-2)5-6-13(8)9/h3-7H2,1-2H3.
What are the key properties of 3,7-diethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
3,7-diethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 180.25 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 67522971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).