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

C16H31N4+ — CID 57152919

IUPAC(5-tetradecyl-1,2,4-triazol-3-ylidene)azanium
SMILESCCCCCCCCCCCCCCC1=NC(=[NH2+])N=N1
InChIInChI=1S/C16H30N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(17)20-19-15/h17H,2-14H2,1H3/p+1
InChIKeyZMECIZWUKCQJJI-UHFFFAOYSA-O
MW279.45 g/mol
LogP4.06
Rot. Bonds13

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

(5-tetradecyl-1,2,4-triazol-3-ylidene)azanium (PubChem CID 57152919) has the molecular formula C16H31N4+ and a molecular weight of 279.45 g/mol. Its IUPAC name is (5-tetradecyl-1,2,4-triazol-3-ylidene)azanium.

Molecular Properties

Compound Name(5-tetradecyl-1,2,4-triazol-3-ylidene)azanium
PubChem CID57152919
Molecular FormulaC16H31N4+
Molecular Weight279.45 g/mol
Exact Mass279.25
IUPAC Name(5-tetradecyl-1,2,4-triazol-3-ylidene)azanium
SMILESCCCCCCCCCCCCCCC1=NC(=[NH2+])N=N1
InChIInChI=1S/C16H30N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(17)20-19-15/h17H,2-14H2,1H3/p+1
InChIKeyZMECIZWUKCQJJI-UHFFFAOYSA-O
XLogP4.06
TPSA62.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.06
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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Frequently Asked Questions

What is the IUPAC name of (5-tetradecyl-1,2,4-triazol-3-ylidene)azanium?
The IUPAC name of (5-tetradecyl-1,2,4-triazol-3-ylidene)azanium (CID 57152919) is (5-tetradecyl-1,2,4-triazol-3-ylidene)azanium.
What is the SMILES notation for (5-tetradecyl-1,2,4-triazol-3-ylidene)azanium?
The canonical SMILES for (5-tetradecyl-1,2,4-triazol-3-ylidene)azanium is CCCCCCCCCCCCCCC1=NC(=[NH2+])N=N1.
What is the InChIKey of (5-tetradecyl-1,2,4-triazol-3-ylidene)azanium?
The InChIKey is ZMECIZWUKCQJJI-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H30N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(17)20-19-15/h17H,2-14H2,1H3/p+1.
What are the key properties of (5-tetradecyl-1,2,4-triazol-3-ylidene)azanium?
(5-tetradecyl-1,2,4-triazol-3-ylidene)azanium has a molecular weight of 279.45 g/mol, XLogP of 4.06, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tetradecyl-1,2,4-triazol-3-ylidene)azanium is sourced from PubChem (CID 57152919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).