7-(2,3,3-trimethylpentan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C13H24N4 — CID 134604692

IUPAC7-(2,3,3-trimethylpentan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCC(C)(C)C(C)(C)N1CCn2cnnc2C1
InChIInChI=1S/C13H24N4/c1-6-12(2,3)13(4,5)17-8-7-16-10-14-15-11(16)9-17/h10H,6-9H2,1-5H3
InChIKeyYTLHXICPZIOQCC-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.31
Rot. Bonds3

About 7-(2,3,3-trimethylpentan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-(2,3,3-trimethylpentan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 134604692) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 7-(2,3,3-trimethylpentan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(2,3,3-trimethylpentan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID134604692
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name7-(2,3,3-trimethylpentan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCC(C)(C)C(C)(C)N1CCn2cnnc2C1
InChIInChI=1S/C13H24N4/c1-6-12(2,3)13(4,5)17-8-7-16-10-14-15-11(16)9-17/h10H,6-9H2,1-5H3
InChIKeyYTLHXICPZIOQCC-UHFFFAOYSA-N
XLogP2.31
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2,3,3-trimethylpentan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(2,3,3-trimethylpentan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 134604692) is 7-(2,3,3-trimethylpentan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(2,3,3-trimethylpentan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(2,3,3-trimethylpentan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CCC(C)(C)C(C)(C)N1CCn2cnnc2C1.
What is the InChIKey of 7-(2,3,3-trimethylpentan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is YTLHXICPZIOQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-6-12(2,3)13(4,5)17-8-7-16-10-14-15-11(16)9-17/h10H,6-9H2,1-5H3.
What are the key properties of 7-(2,3,3-trimethylpentan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(2,3,3-trimethylpentan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 236.36 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3,3-trimethylpentan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 134604692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).