7-propyl-3,5,6,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-4-ium

C8H15N4+ — CID 23389280

IUPAC7-propyl-3,5,6,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-4-ium
SMILESCCCN1CC[n+]2[nH]cnc2C1
InChIInChI=1S/C8H14N4/c1-2-3-11-4-5-12-8(6-11)9-7-10-12/h7H,2-6H2,1H3/p+1
InChIKeyCGJVIILCWQXCNZ-UHFFFAOYSA-O
MW167.24 g/mol
LogP-0.08
Rot. Bonds2

About 7-propyl-3,5,6,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-4-ium

7-propyl-3,5,6,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-4-ium (PubChem CID 23389280) has the molecular formula C8H15N4+ and a molecular weight of 167.24 g/mol. Its IUPAC name is 7-propyl-3,5,6,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-4-ium.

Molecular Properties

Compound Name7-propyl-3,5,6,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-4-ium
PubChem CID23389280
Molecular FormulaC8H15N4+
Molecular Weight167.24 g/mol
Exact Mass167.13
IUPAC Name7-propyl-3,5,6,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-4-ium
SMILESCCCN1CC[n+]2[nH]cnc2C1
InChIInChI=1S/C8H14N4/c1-2-3-11-4-5-12-8(6-11)9-7-10-12/h7H,2-6H2,1H3/p+1
InChIKeyCGJVIILCWQXCNZ-UHFFFAOYSA-O
XLogP-0.08
TPSA35.80 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-propyl-3,5,6,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-4-ium?
The IUPAC name of 7-propyl-3,5,6,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-4-ium (CID 23389280) is 7-propyl-3,5,6,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-4-ium.
What is the SMILES notation for 7-propyl-3,5,6,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-4-ium?
The canonical SMILES for 7-propyl-3,5,6,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-4-ium is CCCN1CC[n+]2[nH]cnc2C1.
What is the InChIKey of 7-propyl-3,5,6,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-4-ium?
The InChIKey is CGJVIILCWQXCNZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H14N4/c1-2-3-11-4-5-12-8(6-11)9-7-10-12/h7H,2-6H2,1H3/p+1.
What are the key properties of 7-propyl-3,5,6,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-4-ium?
7-propyl-3,5,6,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-4-ium has a molecular weight of 167.24 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propyl-3,5,6,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-4-ium is sourced from PubChem (CID 23389280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).