4-(1-bromopropyl)-1-nonyltriazole

C14H26BrN3 — CID 113482865

IUPAC4-(1-bromopropyl)-1-nonyltriazole
SMILESCCCCCCCCCn1cc(C(Br)CC)nn1
InChIInChI=1S/C14H26BrN3/c1-3-5-6-7-8-9-10-11-18-12-14(16-17-18)13(15)4-2/h12-13H,3-11H2,1-2H3
InChIKeyNNWITGZSZLJPPI-UHFFFAOYSA-N
MW316.29 g/mol
LogP4.87
Rot. Bonds10

About 4-(1-bromopropyl)-1-nonyltriazole

4-(1-bromopropyl)-1-nonyltriazole (PubChem CID 113482865) has the molecular formula C14H26BrN3 and a molecular weight of 316.29 g/mol. Its IUPAC name is 4-(1-bromopropyl)-1-nonyltriazole.

Molecular Properties

Compound Name4-(1-bromopropyl)-1-nonyltriazole
PubChem CID113482865
Molecular FormulaC14H26BrN3
Molecular Weight316.29 g/mol
Exact Mass315.13
IUPAC Name4-(1-bromopropyl)-1-nonyltriazole
SMILESCCCCCCCCCn1cc(C(Br)CC)nn1
InChIInChI=1S/C14H26BrN3/c1-3-5-6-7-8-9-10-11-18-12-14(16-17-18)13(15)4-2/h12-13H,3-11H2,1-2H3
InChIKeyNNWITGZSZLJPPI-UHFFFAOYSA-N
XLogP4.87
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1-bromopropyl)-1-[3-(2-methoxyethoxy)propyl]triazole
CID 103412254
1-hexyl-4-(3-methylbutan-2-yl)triazole
CID 135219454
1-(1-pentyltriazol-4-yl)ethanol
CID 81444188
1-(1-pentyltriazol-4-yl)butan-1-amine
CID 106228799
1-heptyl-4-(3-methylbutyl)triazole
CID 68683945
1,4-dioctyltriazole
CID 22628762
4-heptyl-1-octyltriazole
CID 146568784
4-(1-bromopropyl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazole
CID 113482860
5-[4-(1-aminopropyl)triazol-1-yl]pentan-1-ol
CID 106227649
4-(1-bromopropyl)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]triazole
CID 113482888
1-hexyltriazole-4-carbaldehyde
CID 66213783
4-(1-bromoethyl)-1-(3-ethoxypropyl)triazole
CID 81449816

Frequently Asked Questions

What is the IUPAC name of 4-(1-bromopropyl)-1-nonyltriazole?
The IUPAC name of 4-(1-bromopropyl)-1-nonyltriazole (CID 113482865) is 4-(1-bromopropyl)-1-nonyltriazole.
What is the SMILES notation for 4-(1-bromopropyl)-1-nonyltriazole?
The canonical SMILES for 4-(1-bromopropyl)-1-nonyltriazole is CCCCCCCCCn1cc(C(Br)CC)nn1.
What is the InChIKey of 4-(1-bromopropyl)-1-nonyltriazole?
The InChIKey is NNWITGZSZLJPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrN3/c1-3-5-6-7-8-9-10-11-18-12-14(16-17-18)13(15)4-2/h12-13H,3-11H2,1-2H3.
What are the key properties of 4-(1-bromopropyl)-1-nonyltriazole?
4-(1-bromopropyl)-1-nonyltriazole has a molecular weight of 316.29 g/mol, XLogP of 4.87, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromopropyl)-1-nonyltriazole is sourced from PubChem (CID 113482865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).