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

C14H26N4 — CID 129125990

IUPAC7-(2,3,3-trimethylhexan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCC(C)(C)C(C)(C)N1CCn2cnnc2C1
InChIInChI=1S/C14H26N4/c1-6-7-13(2,3)14(4,5)18-9-8-17-11-15-16-12(17)10-18/h11H,6-10H2,1-5H3
InChIKeyWZZDEEYLUYDBNK-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.70
Rot. Bonds4

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

7-(2,3,3-trimethylhexan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 129125990) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 7-(2,3,3-trimethylhexan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(2,3,3-trimethylhexan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID129125990
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name7-(2,3,3-trimethylhexan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCC(C)(C)C(C)(C)N1CCn2cnnc2C1
InChIInChI=1S/C14H26N4/c1-6-7-13(2,3)14(4,5)18-9-8-17-11-15-16-12(17)10-18/h11H,6-10H2,1-5H3
InChIKeyWZZDEEYLUYDBNK-UHFFFAOYSA-N
XLogP2.70
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.70
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-trimethylhexan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(2,3,3-trimethylhexan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 129125990) is 7-(2,3,3-trimethylhexan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(2,3,3-trimethylhexan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(2,3,3-trimethylhexan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CCCC(C)(C)C(C)(C)N1CCn2cnnc2C1.
What is the InChIKey of 7-(2,3,3-trimethylhexan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is WZZDEEYLUYDBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-6-7-13(2,3)14(4,5)18-9-8-17-11-15-16-12(17)10-18/h11H,6-10H2,1-5H3.
What are the key properties of 7-(2,3,3-trimethylhexan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(2,3,3-trimethylhexan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 250.39 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3,3-trimethylhexan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 129125990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).