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

C16H30N4 — CID 167201938

IUPAC7-undecan-6-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCCCC(CCCCC)N1CCn2cnnc2C1
InChIInChI=1S/C16H30N4/c1-3-5-7-9-15(10-8-6-4-2)19-11-12-20-14-17-18-16(20)13-19/h14-15H,3-13H2,1-2H3
InChIKeyDQMXZBVATOQWLE-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.62
Rot. Bonds9

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

7-undecan-6-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 167201938) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 7-undecan-6-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-undecan-6-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID167201938
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name7-undecan-6-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCCCC(CCCCC)N1CCn2cnnc2C1
InChIInChI=1S/C16H30N4/c1-3-5-7-9-15(10-8-6-4-2)19-11-12-20-14-17-18-16(20)13-19/h14-15H,3-13H2,1-2H3
InChIKeyDQMXZBVATOQWLE-UHFFFAOYSA-N
XLogP3.62
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.62
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-undecan-6-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-undecan-6-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 167201938) is 7-undecan-6-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-undecan-6-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-undecan-6-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CCCCCC(CCCCC)N1CCn2cnnc2C1.
What is the InChIKey of 7-undecan-6-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is DQMXZBVATOQWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-3-5-7-9-15(10-8-6-4-2)19-11-12-20-14-17-18-16(20)13-19/h14-15H,3-13H2,1-2H3.
What are the key properties of 7-undecan-6-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-undecan-6-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 278.44 g/mol, XLogP of 3.62, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-undecan-6-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 167201938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).