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

C12H23N4+ — CID 57316757

IUPAC(5-decyl-1,2,4-triazol-3-ylidene)azanium
SMILESCCCCCCCCCCC1=NC(=[NH2+])N=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/p+1
InChIKeyZFBVRCYVDALPEQ-UHFFFAOYSA-O
MW223.34 g/mol
LogP2.50
Rot. Bonds9

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

(5-decyl-1,2,4-triazol-3-ylidene)azanium (PubChem CID 57316757) has the molecular formula C12H23N4+ and a molecular weight of 223.34 g/mol. Its IUPAC name is (5-decyl-1,2,4-triazol-3-ylidene)azanium.

Molecular Properties

Compound Name(5-decyl-1,2,4-triazol-3-ylidene)azanium
PubChem CID57316757
Molecular FormulaC12H23N4+
Molecular Weight223.34 g/mol
Exact Mass223.19
IUPAC Name(5-decyl-1,2,4-triazol-3-ylidene)azanium
SMILESCCCCCCCCCCC1=NC(=[NH2+])N=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/p+1
InChIKeyZFBVRCYVDALPEQ-UHFFFAOYSA-O
XLogP2.50
TPSA62.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.50
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-decyl-1,2,4-triazol-3-ylidene)azanium?
The IUPAC name of (5-decyl-1,2,4-triazol-3-ylidene)azanium (CID 57316757) is (5-decyl-1,2,4-triazol-3-ylidene)azanium.
What is the SMILES notation for (5-decyl-1,2,4-triazol-3-ylidene)azanium?
The canonical SMILES for (5-decyl-1,2,4-triazol-3-ylidene)azanium is CCCCCCCCCCC1=NC(=[NH2+])N=N1.
What is the InChIKey of (5-decyl-1,2,4-triazol-3-ylidene)azanium?
The InChIKey is ZFBVRCYVDALPEQ-UHFFFAOYSA-O. 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/p+1.
What are the key properties of (5-decyl-1,2,4-triazol-3-ylidene)azanium?
(5-decyl-1,2,4-triazol-3-ylidene)azanium has a molecular weight of 223.34 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-decyl-1,2,4-triazol-3-ylidene)azanium is sourced from PubChem (CID 57316757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).