4-(cyclohexylmethyl)-1-(3-imidazol-1-ylpropyl)triazole

C15H23N5 — CID 51354587

IUPAC4-(cyclohexylmethyl)-1-(3-imidazol-1-ylpropyl)triazole
SMILESc1cn(CCCn2cc(CC3CCCCC3)nn2)cn1
InChIInChI=1S/C15H23N5/c1-2-5-14(6-3-1)11-15-12-20(18-17-15)9-4-8-19-10-7-16-13-19/h7,10,12-14H,1-6,8-9,11H2
InChIKeyURLZEOPFRQZBGW-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.69
Rot. Bonds6

About 4-(cyclohexylmethyl)-1-(3-imidazol-1-ylpropyl)triazole

4-(cyclohexylmethyl)-1-(3-imidazol-1-ylpropyl)triazole (PubChem CID 51354587) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-1-(3-imidazol-1-ylpropyl)triazole.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-1-(3-imidazol-1-ylpropyl)triazole
PubChem CID51354587
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name4-(cyclohexylmethyl)-1-(3-imidazol-1-ylpropyl)triazole
SMILESc1cn(CCCn2cc(CC3CCCCC3)nn2)cn1
InChIInChI=1S/C15H23N5/c1-2-5-14(6-3-1)11-15-12-20(18-17-15)9-4-8-19-10-7-16-13-19/h7,10,12-14H,1-6,8-9,11H2
InChIKeyURLZEOPFRQZBGW-UHFFFAOYSA-N
XLogP2.69
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole
CID 51354300
4-(cyclopentylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole
CID 51354584
1,5-Dicyclohexylimidazole
CID 719789
4-(cyclohexylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole
CID 51354301
4-(cyclohexylmethyl)-1-[4-(1H-imidazol-5-yl)butyl]triazole
CID 51354302
4-cyclohexyl-1-[3-(1H-imidazol-5-yl)propyl]triazole
CID 51354303
4-(2-cyclohexylethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole
CID 51354304
4-(1-cyclohexylethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole
CID 51354582
4-(cycloheptylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole
CID 51354583
4-(cyclopentylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole
CID 51354585
4-(1-cyclohexylethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole
CID 51354586
1-(cyclohexylmethyl)-4-[3-(1H-imidazol-5-yl)propyl]triazole
CID 51354875

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-1-(3-imidazol-1-ylpropyl)triazole?
The IUPAC name of 4-(cyclohexylmethyl)-1-(3-imidazol-1-ylpropyl)triazole (CID 51354587) is 4-(cyclohexylmethyl)-1-(3-imidazol-1-ylpropyl)triazole.
What is the SMILES notation for 4-(cyclohexylmethyl)-1-(3-imidazol-1-ylpropyl)triazole?
The canonical SMILES for 4-(cyclohexylmethyl)-1-(3-imidazol-1-ylpropyl)triazole is c1cn(CCCn2cc(CC3CCCCC3)nn2)cn1.
What is the InChIKey of 4-(cyclohexylmethyl)-1-(3-imidazol-1-ylpropyl)triazole?
The InChIKey is URLZEOPFRQZBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-2-5-14(6-3-1)11-15-12-20(18-17-15)9-4-8-19-10-7-16-13-19/h7,10,12-14H,1-6,8-9,11H2.
What are the key properties of 4-(cyclohexylmethyl)-1-(3-imidazol-1-ylpropyl)triazole?
4-(cyclohexylmethyl)-1-(3-imidazol-1-ylpropyl)triazole has a molecular weight of 273.38 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-1-(3-imidazol-1-ylpropyl)triazole is sourced from PubChem (CID 51354587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).