3-(1-nonyltriazol-4-yl)propanoic acid

C14H25N3O2 — CID 107460574

IUPAC3-(1-nonyltriazol-4-yl)propanoic acid
SMILESCCCCCCCCCn1cc(CCC(=O)O)nn1
InChIInChI=1S/C14H25N3O2/c1-2-3-4-5-6-7-8-11-17-12-13(15-16-17)9-10-14(18)19/h12H,2-11H2,1H3,(H,18,19)
InChIKeyRJOFSJMHDWTROK-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.05
Rot. Bonds11

About 3-(1-nonyltriazol-4-yl)propanoic acid

3-(1-nonyltriazol-4-yl)propanoic acid (PubChem CID 107460574) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-(1-nonyltriazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-nonyltriazol-4-yl)propanoic acid
PubChem CID107460574
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-(1-nonyltriazol-4-yl)propanoic acid
SMILESCCCCCCCCCn1cc(CCC(=O)O)nn1
InChIInChI=1S/C14H25N3O2/c1-2-3-4-5-6-7-8-11-17-12-13(15-16-17)9-10-14(18)19/h12H,2-11H2,1H3,(H,18,19)
InChIKeyRJOFSJMHDWTROK-UHFFFAOYSA-N
XLogP3.05
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1-dodecyltriazol-4-yl)propanamide
CID 138710438
2-(1-heptyltriazol-4-yl)acetic acid
CID 107461252
1,4-dioctyltriazole
CID 22628762
4-heptyl-1-octyltriazole
CID 146568784
3-[1-(3-methylsulfonylpropyl)triazol-4-yl]propanoic acid
CID 107460770
3-[1-(2-propoxyethyl)triazol-4-yl]propanoic acid
CID 107461014
2-(1-pentyltriazol-4-yl)ethanamine
CID 116641934
1-dodecyl-4-(2-phenylethyl)triazole
CID 56666794
3-[1-(3-hydroxy-3-methylbutyl)triazol-4-yl]propanoic acid
CID 107460771
4-(1-heptyltriazol-4-yl)butan-1-amine
CID 104539279
1-heptyl-4-(3-methylbutyl)triazole
CID 68683945
4-(1-nonyltriazol-4-yl)butan-1-amine
CID 104539136

Frequently Asked Questions

What is the IUPAC name of 3-(1-nonyltriazol-4-yl)propanoic acid?
The IUPAC name of 3-(1-nonyltriazol-4-yl)propanoic acid (CID 107460574) is 3-(1-nonyltriazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(1-nonyltriazol-4-yl)propanoic acid?
The canonical SMILES for 3-(1-nonyltriazol-4-yl)propanoic acid is CCCCCCCCCn1cc(CCC(=O)O)nn1.
What is the InChIKey of 3-(1-nonyltriazol-4-yl)propanoic acid?
The InChIKey is RJOFSJMHDWTROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-2-3-4-5-6-7-8-11-17-12-13(15-16-17)9-10-14(18)19/h12H,2-11H2,1H3,(H,18,19).
What are the key properties of 3-(1-nonyltriazol-4-yl)propanoic acid?
3-(1-nonyltriazol-4-yl)propanoic acid has a molecular weight of 267.37 g/mol, XLogP of 3.05, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-nonyltriazol-4-yl)propanoic acid is sourced from PubChem (CID 107460574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).