4-cyclohexyl-1-[3-(1H-imidazol-5-yl)propyl]triazole

C14H21N5 — CID 51354303

IUPAC4-cyclohexyl-1-[3-(1H-imidazol-5-yl)propyl]triazole
SMILESc1ncc(CCCn2cc(C3CCCCC3)nn2)[nH]1
InChIInChI=1S/C14H21N5/c1-2-5-12(6-3-1)14-10-19(18-17-14)8-4-7-13-9-15-11-16-13/h9-12H,1-8H2,(H,15,16)
InChIKeyDFXVOYQWLICYQI-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.68
Rot. Bonds5

About 4-cyclohexyl-1-[3-(1H-imidazol-5-yl)propyl]triazole

4-cyclohexyl-1-[3-(1H-imidazol-5-yl)propyl]triazole (PubChem CID 51354303) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 4-cyclohexyl-1-[3-(1H-imidazol-5-yl)propyl]triazole.

Molecular Properties

Compound Name4-cyclohexyl-1-[3-(1H-imidazol-5-yl)propyl]triazole
PubChem CID51354303
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name4-cyclohexyl-1-[3-(1H-imidazol-5-yl)propyl]triazole
SMILESc1ncc(CCCn2cc(C3CCCCC3)nn2)[nH]1
InChIInChI=1S/C14H21N5/c1-2-5-12(6-3-1)14-10-19(18-17-14)8-4-7-13-9-15-11-16-13/h9-12H,1-8H2,(H,15,16)
InChIKeyDFXVOYQWLICYQI-UHFFFAOYSA-N
XLogP2.68
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-[3-(1H-imidazol-5-yl)propyl]triazole?
The IUPAC name of 4-cyclohexyl-1-[3-(1H-imidazol-5-yl)propyl]triazole (CID 51354303) is 4-cyclohexyl-1-[3-(1H-imidazol-5-yl)propyl]triazole.
What is the SMILES notation for 4-cyclohexyl-1-[3-(1H-imidazol-5-yl)propyl]triazole?
The canonical SMILES for 4-cyclohexyl-1-[3-(1H-imidazol-5-yl)propyl]triazole is c1ncc(CCCn2cc(C3CCCCC3)nn2)[nH]1.
What is the InChIKey of 4-cyclohexyl-1-[3-(1H-imidazol-5-yl)propyl]triazole?
The InChIKey is DFXVOYQWLICYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-2-5-12(6-3-1)14-10-19(18-17-14)8-4-7-13-9-15-11-16-13/h9-12H,1-8H2,(H,15,16).
What are the key properties of 4-cyclohexyl-1-[3-(1H-imidazol-5-yl)propyl]triazole?
4-cyclohexyl-1-[3-(1H-imidazol-5-yl)propyl]triazole has a molecular weight of 259.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-[3-(1H-imidazol-5-yl)propyl]triazole is sourced from PubChem (CID 51354303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).