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

C17H33N4+ — CID 57199929

IUPAC(5-pentadecyl-1,2,4-triazol-3-ylidene)azanium
SMILESCCCCCCCCCCCCCCCC1=NC(=[NH2+])N=N1
InChIInChI=1S/C17H32N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)21-20-16/h18H,2-15H2,1H3/p+1
InChIKeyRHWPMWPEAYSMSC-UHFFFAOYSA-O
MW293.48 g/mol
LogP4.45
Rot. Bonds14

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

(5-pentadecyl-1,2,4-triazol-3-ylidene)azanium (PubChem CID 57199929) has the molecular formula C17H33N4+ and a molecular weight of 293.48 g/mol. Its IUPAC name is (5-pentadecyl-1,2,4-triazol-3-ylidene)azanium.

Molecular Properties

Compound Name(5-pentadecyl-1,2,4-triazol-3-ylidene)azanium
PubChem CID57199929
Molecular FormulaC17H33N4+
Molecular Weight293.48 g/mol
Exact Mass293.27
IUPAC Name(5-pentadecyl-1,2,4-triazol-3-ylidene)azanium
SMILESCCCCCCCCCCCCCCCC1=NC(=[NH2+])N=N1
InChIInChI=1S/C17H32N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)21-20-16/h18H,2-15H2,1H3/p+1
InChIKeyRHWPMWPEAYSMSC-UHFFFAOYSA-O
XLogP4.45
TPSA62.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.45
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-pentadecyl-1,2,4-triazol-3-ylidene)azanium?
The IUPAC name of (5-pentadecyl-1,2,4-triazol-3-ylidene)azanium (CID 57199929) is (5-pentadecyl-1,2,4-triazol-3-ylidene)azanium.
What is the SMILES notation for (5-pentadecyl-1,2,4-triazol-3-ylidene)azanium?
The canonical SMILES for (5-pentadecyl-1,2,4-triazol-3-ylidene)azanium is CCCCCCCCCCCCCCCC1=NC(=[NH2+])N=N1.
What is the InChIKey of (5-pentadecyl-1,2,4-triazol-3-ylidene)azanium?
The InChIKey is RHWPMWPEAYSMSC-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H32N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)21-20-16/h18H,2-15H2,1H3/p+1.
What are the key properties of (5-pentadecyl-1,2,4-triazol-3-ylidene)azanium?
(5-pentadecyl-1,2,4-triazol-3-ylidene)azanium has a molecular weight of 293.48 g/mol, XLogP of 4.45, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-pentadecyl-1,2,4-triazol-3-ylidene)azanium is sourced from PubChem (CID 57199929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).