(5-nonyl-1,2,4-triazol-3-ylidene)azanium

C11H21N4+ — CID 57213276

IUPAC(5-nonyl-1,2,4-triazol-3-ylidene)azanium
SMILESCCCCCCCCCC1=NC(=[NH2+])N=N1
InChIInChI=1S/C11H20N4/c1-2-3-4-5-6-7-8-9-10-13-11(12)15-14-10/h12H,2-9H2,1H3/p+1
InChIKeyQLCDHNAOEBOPHL-UHFFFAOYSA-O
MW209.32 g/mol
LogP2.11
Rot. Bonds8

About (5-nonyl-1,2,4-triazol-3-ylidene)azanium

(5-nonyl-1,2,4-triazol-3-ylidene)azanium (PubChem CID 57213276) has the molecular formula C11H21N4+ and a molecular weight of 209.32 g/mol. Its IUPAC name is (5-nonyl-1,2,4-triazol-3-ylidene)azanium.

Molecular Properties

Compound Name(5-nonyl-1,2,4-triazol-3-ylidene)azanium
PubChem CID57213276
Molecular FormulaC11H21N4+
Molecular Weight209.32 g/mol
Exact Mass209.18
IUPAC Name(5-nonyl-1,2,4-triazol-3-ylidene)azanium
SMILESCCCCCCCCCC1=NC(=[NH2+])N=N1
InChIInChI=1S/C11H20N4/c1-2-3-4-5-6-7-8-9-10-13-11(12)15-14-10/h12H,2-9H2,1H3/p+1
InChIKeyQLCDHNAOEBOPHL-UHFFFAOYSA-O
XLogP2.11
TPSA62.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5-Pentyl-1,2,4-triazol-3-ylidene)azanium
CID 56985751
(5-Octadecyl-1,2,4-triazol-3-ylidene)azanium
CID 57073340
(5-Hexyl-1,2,4-triazol-3-ylidene)azanium
CID 57091697
(5-Heptadecyl-1,2,4-triazol-3-ylidene)azanium
CID 57121338
(5-Undecyl-1,2,4-triazol-3-ylidene)azanium
CID 57133796
(5-Tetradecyl-1,2,4-triazol-3-ylidene)azanium
CID 57152919
(5-Pentadecyl-1,2,4-triazol-3-ylidene)azanium
CID 57199929
(5-Hexadecyl-1,2,4-triazol-3-ylidene)azanium
CID 57220362
(5-Butyl-1,2,4-triazol-3-ylidene)azanium
CID 57234443
(5-Octyl-1,2,4-triazol-3-ylidene)azanium
CID 57302274
(5-Decyl-1,2,4-triazol-3-ylidene)azanium
CID 57316757
(5-Heptyl-1,2,4-triazol-3-ylidene)azanium
CID 57317584

Frequently Asked Questions

What is the IUPAC name of (5-nonyl-1,2,4-triazol-3-ylidene)azanium?
The IUPAC name of (5-nonyl-1,2,4-triazol-3-ylidene)azanium (CID 57213276) is (5-nonyl-1,2,4-triazol-3-ylidene)azanium.
What is the SMILES notation for (5-nonyl-1,2,4-triazol-3-ylidene)azanium?
The canonical SMILES for (5-nonyl-1,2,4-triazol-3-ylidene)azanium is CCCCCCCCCC1=NC(=[NH2+])N=N1.
What is the InChIKey of (5-nonyl-1,2,4-triazol-3-ylidene)azanium?
The InChIKey is QLCDHNAOEBOPHL-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H20N4/c1-2-3-4-5-6-7-8-9-10-13-11(12)15-14-10/h12H,2-9H2,1H3/p+1.
What are the key properties of (5-nonyl-1,2,4-triazol-3-ylidene)azanium?
(5-nonyl-1,2,4-triazol-3-ylidene)azanium has a molecular weight of 209.32 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nonyl-1,2,4-triazol-3-ylidene)azanium is sourced from PubChem (CID 57213276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).