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

C12H22N4 — CID 57316758

IUPAC5-decyl-1,2,4-triazol-3-imine
SMILES[H]/N=C1\N=NC(CCCCCCCCCC)=N1
InChIInChI=1S/C12H22N4/c1-2-3-4-5-6-7-8-9-10-11-14-12(13)16-15-11/h13H,2-10H2,1H3/b13-12-
InChIKeyZFBVRCYVDALPEQ-SEYXRHQNSA-N
MW222.34 g/mol
LogP4.32
Rot. Bonds9

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

5-decyl-1,2,4-triazol-3-imine (PubChem CID 57316758) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 5-decyl-1,2,4-triazol-3-imine.

Molecular Properties

Compound Name5-decyl-1,2,4-triazol-3-imine
PubChem CID57316758
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name5-decyl-1,2,4-triazol-3-imine
SMILES[H]/N=C1\N=NC(CCCCCCCCCC)=N1
InChIInChI=1S/C12H22N4/c1-2-3-4-5-6-7-8-9-10-11-14-12(13)16-15-11/h13H,2-10H2,1H3/b13-12-
InChIKeyZFBVRCYVDALPEQ-SEYXRHQNSA-N
XLogP4.32
TPSA60.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-decyl-1,2,4-triazol-3-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-hexyl-1,2,4-triazol-3-ylidene)azanium
CID 57091697
4,5-dihexyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
CID 117070540
2-nonylpyrimidine
CID 23297050
CID 161246447
CID 161246447
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
decane;heptane
CID 159049036
2-butyl-4,6-di(nonyl)-1,3,5-triazine
CID 91505211
dohexacontane
CID 522644
henoctacontane
CID 22086342

Frequently Asked Questions

What is the IUPAC name of 5-decyl-1,2,4-triazol-3-imine?
The IUPAC name of 5-decyl-1,2,4-triazol-3-imine (CID 57316758) is 5-decyl-1,2,4-triazol-3-imine.
What is the SMILES notation for 5-decyl-1,2,4-triazol-3-imine?
The canonical SMILES for 5-decyl-1,2,4-triazol-3-imine is [H]/N=C1\N=NC(CCCCCCCCCC)=N1.
What is the InChIKey of 5-decyl-1,2,4-triazol-3-imine?
The InChIKey is ZFBVRCYVDALPEQ-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H22N4/c1-2-3-4-5-6-7-8-9-10-11-14-12(13)16-15-11/h13H,2-10H2,1H3/b13-12-.
What are the key properties of 5-decyl-1,2,4-triazol-3-imine?
5-decyl-1,2,4-triazol-3-imine has a molecular weight of 222.34 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-decyl-1,2,4-triazol-3-imine is sourced from PubChem (CID 57316758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).