[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclooctyl]methanamine

C14H25N5 — CID 64574766

IUPAC[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclooctyl]methanamine
SMILESNCC1(N2CCn3cnnc3C2)CCCCCCC1
InChIInChI=1S/C14H25N5/c15-11-14(6-4-2-1-3-5-7-14)19-9-8-18-12-16-17-13(18)10-19/h12H,1-11,15H2
InChIKeyHJQMNZOIVJCJIE-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.54
Rot. Bonds2

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

[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclooctyl]methanamine (PubChem CID 64574766) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclooctyl]methanamine.

Molecular Properties

Compound Name[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclooctyl]methanamine
PubChem CID64574766
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclooctyl]methanamine
SMILESNCC1(N2CCn3cnnc3C2)CCCCCCC1
InChIInChI=1S/C14H25N5/c15-11-14(6-4-2-1-3-5-7-14)19-9-8-18-12-16-17-13(18)10-19/h12H,1-11,15H2
InChIKeyHJQMNZOIVJCJIE-UHFFFAOYSA-N
XLogP1.54
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclooctyl]methanamine?
The IUPAC name of [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclooctyl]methanamine (CID 64574766) is [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclooctyl]methanamine.
What is the SMILES notation for [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclooctyl]methanamine?
The canonical SMILES for [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclooctyl]methanamine is NCC1(N2CCn3cnnc3C2)CCCCCCC1.
What is the InChIKey of [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclooctyl]methanamine?
The InChIKey is HJQMNZOIVJCJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c15-11-14(6-4-2-1-3-5-7-14)19-9-8-18-12-16-17-13(18)10-19/h12H,1-11,15H2.
What are the key properties of [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclooctyl]methanamine?
[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclooctyl]methanamine has a molecular weight of 263.39 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclooctyl]methanamine is sourced from PubChem (CID 64574766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).