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

C15H23N5 — CID 51354875

IUPAC1-(cyclohexylmethyl)-4-[3-(1H-imidazol-5-yl)propyl]triazole
SMILESc1ncc(CCCc2cn(CC3CCCCC3)nn2)[nH]1
InChIInChI=1S/C15H23N5/c1-2-5-13(6-3-1)10-20-11-15(18-19-20)8-4-7-14-9-16-12-17-14/h9,11-13H,1-8,10H2,(H,16,17)
InChIKeyNJFFBAFKMJPFCY-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.76
Rot. Bonds6

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

1-(cyclohexylmethyl)-4-[3-(1H-imidazol-5-yl)propyl]triazole (PubChem CID 51354875) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-[3-(1H-imidazol-5-yl)propyl]triazole.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-[3-(1H-imidazol-5-yl)propyl]triazole
PubChem CID51354875
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name1-(cyclohexylmethyl)-4-[3-(1H-imidazol-5-yl)propyl]triazole
SMILESc1ncc(CCCc2cn(CC3CCCCC3)nn2)[nH]1
InChIInChI=1S/C15H23N5/c1-2-5-13(6-3-1)10-20-11-15(18-19-20)8-4-7-14-9-16-12-17-14/h9,11-13H,1-8,10H2,(H,16,17)
InChIKeyNJFFBAFKMJPFCY-UHFFFAOYSA-N
XLogP2.76
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Immepip
CID 3035842
4-(6-Cyclopentyl-hex-3-ynyl)-1H-imidazole
CID 9794398
2-[2-(1H-Imidazol-4-yl)-cyclopropyl]-ethylamine
CID 10154137
Methimepip
CID 11313837
2-((1R,2R)-2-(1H-Imidazol-5-yl)cyclopropyl)ethanamine
CID 11829635
4-(1H-imidazol-4-yl)piperidine
CID 10678418
4-((2R,3S)-2-Methyl-pyrrolidin-3-yl)-1H-imidazole
CID 9815231
4-(6-Cyclohexyl-hex-3-ynyl)-1H-imidazole
CID 10220233
4-[3-(1h-Imidazol-4-yl)propyl]piperidine
CID 10330240
4-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole
CID 51354300
4-((2S,3R)-2-Methyl-pyrrolidin-3-yl)-1H-imidazole
CID 10329450
Vuf 4904
CID 11492393

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-[3-(1H-imidazol-5-yl)propyl]triazole?
The IUPAC name of 1-(cyclohexylmethyl)-4-[3-(1H-imidazol-5-yl)propyl]triazole (CID 51354875) is 1-(cyclohexylmethyl)-4-[3-(1H-imidazol-5-yl)propyl]triazole.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-[3-(1H-imidazol-5-yl)propyl]triazole?
The canonical SMILES for 1-(cyclohexylmethyl)-4-[3-(1H-imidazol-5-yl)propyl]triazole is c1ncc(CCCc2cn(CC3CCCCC3)nn2)[nH]1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-[3-(1H-imidazol-5-yl)propyl]triazole?
The InChIKey is NJFFBAFKMJPFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-2-5-13(6-3-1)10-20-11-15(18-19-20)8-4-7-14-9-16-12-17-14/h9,11-13H,1-8,10H2,(H,16,17).
What are the key properties of 1-(cyclohexylmethyl)-4-[3-(1H-imidazol-5-yl)propyl]triazole?
1-(cyclohexylmethyl)-4-[3-(1H-imidazol-5-yl)propyl]triazole has a molecular weight of 273.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-[3-(1H-imidazol-5-yl)propyl]triazole is sourced from PubChem (CID 51354875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).