4-(cyclohexylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole

C14H21N5 — CID 51354301

IUPAC4-(cyclohexylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole
SMILESc1ncc(CCn2cc(CC3CCCCC3)nn2)[nH]1
InChIInChI=1S/C14H21N5/c1-2-4-12(5-3-1)8-14-10-19(18-17-14)7-6-13-9-15-11-16-13/h9-12H,1-8H2,(H,15,16)
InChIKeyKUWPQNYVWRUDNF-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.37
Rot. Bonds5

About 4-(cyclohexylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole

4-(cyclohexylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole (PubChem CID 51354301) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole
PubChem CID51354301
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name4-(cyclohexylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole
SMILESc1ncc(CCn2cc(CC3CCCCC3)nn2)[nH]1
InChIInChI=1S/C14H21N5/c1-2-4-12(5-3-1)8-14-10-19(18-17-14)7-6-13-9-15-11-16-13/h9-12H,1-8H2,(H,15,16)
InChIKeyKUWPQNYVWRUDNF-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole?
The IUPAC name of 4-(cyclohexylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole (CID 51354301) is 4-(cyclohexylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole.
What is the SMILES notation for 4-(cyclohexylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole?
The canonical SMILES for 4-(cyclohexylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole is c1ncc(CCn2cc(CC3CCCCC3)nn2)[nH]1.
What is the InChIKey of 4-(cyclohexylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole?
The InChIKey is KUWPQNYVWRUDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-2-4-12(5-3-1)8-14-10-19(18-17-14)7-6-13-9-15-11-16-13/h9-12H,1-8H2,(H,15,16).
What are the key properties of 4-(cyclohexylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole?
4-(cyclohexylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole has a molecular weight of 259.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole is sourced from PubChem (CID 51354301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).