trimethyl-[4-(4-pyridin-2-yltriazol-1-yl)butyl]azanium

C14H22N5+ — CID 71725787

IUPACtrimethyl-[4-(4-pyridin-2-yltriazol-1-yl)butyl]azanium
SMILESC[N+](C)(C)CCCCn1cc(-c2ccccn2)nn1
InChIInChI=1S/C14H22N5/c1-19(2,3)11-7-6-10-18-12-14(16-17-18)13-8-4-5-9-15-13/h4-5,8-9,12H,6-7,10-11H2,1-3H3/q+1
InChIKeySSYGIMUGRWQXBD-UHFFFAOYSA-N
MW260.37 g/mol
LogP1.83
Rot. Bonds6

About trimethyl-[4-(4-pyridin-2-yltriazol-1-yl)butyl]azanium

trimethyl-[4-(4-pyridin-2-yltriazol-1-yl)butyl]azanium (PubChem CID 71725787) has the molecular formula C14H22N5+ and a molecular weight of 260.37 g/mol. Its IUPAC name is trimethyl-[4-(4-pyridin-2-yltriazol-1-yl)butyl]azanium.

Molecular Properties

Compound Nametrimethyl-[4-(4-pyridin-2-yltriazol-1-yl)butyl]azanium
PubChem CID71725787
Molecular FormulaC14H22N5+
Molecular Weight260.37 g/mol
Exact Mass260.19
IUPAC Nametrimethyl-[4-(4-pyridin-2-yltriazol-1-yl)butyl]azanium
SMILESC[N+](C)(C)CCCCn1cc(-c2ccccn2)nn1
InChIInChI=1S/C14H22N5/c1-19(2,3)11-7-6-10-18-12-14(16-17-18)13-8-4-5-9-15-13/h4-5,8-9,12H,6-7,10-11H2,1-3H3/q+1
InChIKeySSYGIMUGRWQXBD-UHFFFAOYSA-N
XLogP1.83
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

7-(4-pyridin-2-yltriazol-1-yl)heptan-2-one
CID 167561665
2-[1-[(4-methylphenyl)methyl]triazol-4-yl]pyridine
CID 102291275
5-(1-butyltriazol-4-yl)-2-[5-(1-butyltriazol-4-yl)-2-pyridinyl]pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 139108058
2-[2-[4-(4-pyridin-2-yltriazol-1-yl)butoxy]phenyl]-1,3-benzothiazole
CID 176507431
3-[[2-(4-pyridin-2-yltriazol-1-yl)acetyl]amino]propanoic acid
CID 132605658
2,4-dimethyl-5-(4-pyridin-2-yltriazol-1-yl)pentanal
CID 145226871
(2R,3R,4S,5R)-2-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol
CID 102277498
propane;2-pyridin-2-ylpyridine
CID 158168510
3-hydroxy-2-methyl-1-[[(4-pyridin-2-yltriazol-1-yl)methylamino]methyl]pyridin-4-one
CID 170097966
2-[1-(trifluoromethyl)triazol-4-yl]pyridine
CID 67428287
2-[3-(4-pyrazin-2-yltriazol-1-yl)propyl]isoindole-1,3-dione
CID 167749505
[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]-2-[2-(4-pyridin-2-yltriazol-1-yl)ethoxymethyl]oxan-3-yl] acetate
CID 102277496

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-(4-pyridin-2-yltriazol-1-yl)butyl]azanium?
The IUPAC name of trimethyl-[4-(4-pyridin-2-yltriazol-1-yl)butyl]azanium (CID 71725787) is trimethyl-[4-(4-pyridin-2-yltriazol-1-yl)butyl]azanium.
What is the SMILES notation for trimethyl-[4-(4-pyridin-2-yltriazol-1-yl)butyl]azanium?
The canonical SMILES for trimethyl-[4-(4-pyridin-2-yltriazol-1-yl)butyl]azanium is C[N+](C)(C)CCCCn1cc(-c2ccccn2)nn1.
What is the InChIKey of trimethyl-[4-(4-pyridin-2-yltriazol-1-yl)butyl]azanium?
The InChIKey is SSYGIMUGRWQXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N5/c1-19(2,3)11-7-6-10-18-12-14(16-17-18)13-8-4-5-9-15-13/h4-5,8-9,12H,6-7,10-11H2,1-3H3/q+1.
What are the key properties of trimethyl-[4-(4-pyridin-2-yltriazol-1-yl)butyl]azanium?
trimethyl-[4-(4-pyridin-2-yltriazol-1-yl)butyl]azanium has a molecular weight of 260.37 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-(4-pyridin-2-yltriazol-1-yl)butyl]azanium is sourced from PubChem (CID 71725787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).