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

C14H26N4 — CID 129282119

IUPAC7-nonan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCCCCCC(C)N1CCn2cnnc2C1
InChIInChI=1S/C14H26N4/c1-3-4-5-6-7-8-13(2)17-9-10-18-12-15-16-14(18)11-17/h12-13H,3-11H2,1-2H3
InChIKeyHKSXNMYLWSDRBY-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.84
Rot. Bonds7

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

7-nonan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 129282119) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 7-nonan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-nonan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID129282119
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name7-nonan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCCCCCC(C)N1CCn2cnnc2C1
InChIInChI=1S/C14H26N4/c1-3-4-5-6-7-8-13(2)17-9-10-18-12-15-16-14(18)11-17/h12-13H,3-11H2,1-2H3
InChIKeyHKSXNMYLWSDRBY-UHFFFAOYSA-N
XLogP2.84
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-nonan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-nonan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 129282119) is 7-nonan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-nonan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-nonan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CCCCCCCC(C)N1CCn2cnnc2C1.
What is the InChIKey of 7-nonan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is HKSXNMYLWSDRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-3-4-5-6-7-8-13(2)17-9-10-18-12-15-16-14(18)11-17/h12-13H,3-11H2,1-2H3.
What are the key properties of 7-nonan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-nonan-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 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nonan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 129282119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).