5-propyl-1,2,4-triazol-3-imine

C5H8N4 — CID 57267841

IUPAC5-propyl-1,2,4-triazol-3-imine
SMILES[H]/N=C1\N=NC(CCC)=N1
InChIInChI=1S/C5H8N4/c1-2-3-4-7-5(6)9-8-4/h6H,2-3H2,1H3/b6-5-
InChIKeySQLACWPEHICPIJ-WAYWQWQTSA-N
MW124.15 g/mol
LogP1.59
Rot. Bonds2

About 5-propyl-1,2,4-triazol-3-imine

5-propyl-1,2,4-triazol-3-imine (PubChem CID 57267841) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 5-propyl-1,2,4-triazol-3-imine.

Molecular Properties

Compound Name5-propyl-1,2,4-triazol-3-imine
PubChem CID57267841
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name5-propyl-1,2,4-triazol-3-imine
SMILES[H]/N=C1\N=NC(CCC)=N1
InChIInChI=1S/C5H8N4/c1-2-3-4-7-5(6)9-8-4/h6H,2-3H2,1H3/b6-5-
InChIKeySQLACWPEHICPIJ-WAYWQWQTSA-N
XLogP1.59
TPSA60.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-1,2,4-triazol-3-imine?
The IUPAC name of 5-propyl-1,2,4-triazol-3-imine (CID 57267841) is 5-propyl-1,2,4-triazol-3-imine.
What is the SMILES notation for 5-propyl-1,2,4-triazol-3-imine?
The canonical SMILES for 5-propyl-1,2,4-triazol-3-imine is [H]/N=C1\N=NC(CCC)=N1.
What is the InChIKey of 5-propyl-1,2,4-triazol-3-imine?
The InChIKey is SQLACWPEHICPIJ-WAYWQWQTSA-N. The full InChI is InChI=1S/C5H8N4/c1-2-3-4-7-5(6)9-8-4/h6H,2-3H2,1H3/b6-5-.
What are the key properties of 5-propyl-1,2,4-triazol-3-imine?
5-propyl-1,2,4-triazol-3-imine has a molecular weight of 124.15 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-1,2,4-triazol-3-imine is sourced from PubChem (CID 57267841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).