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

C14H21N5 — CID 51354876

IUPAC1-(cyclohexylmethyl)-4-[2-(1H-imidazol-5-yl)ethyl]triazole
SMILESc1ncc(CCc2cn(CC3CCCCC3)nn2)[nH]1
InChIInChI=1S/C14H21N5/c1-2-4-12(5-3-1)9-19-10-14(17-18-19)7-6-13-8-15-11-16-13/h8,10-12H,1-7,9H2,(H,15,16)
InChIKeyRXXNFVRDAPDQBC-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.37
Rot. Bonds5

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

1-(cyclohexylmethyl)-4-[2-(1H-imidazol-5-yl)ethyl]triazole (PubChem CID 51354876) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-[2-(1H-imidazol-5-yl)ethyl]triazole.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-[2-(1H-imidazol-5-yl)ethyl]triazole
PubChem CID51354876
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name1-(cyclohexylmethyl)-4-[2-(1H-imidazol-5-yl)ethyl]triazole
SMILESc1ncc(CCc2cn(CC3CCCCC3)nn2)[nH]1
InChIInChI=1S/C14H21N5/c1-2-4-12(5-3-1)9-19-10-14(17-18-19)7-6-13-8-15-11-16-13/h8,10-12H,1-7,9H2,(H,15,16)
InChIKeyRXXNFVRDAPDQBC-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 1-(cyclohexylmethyl)-4-[2-(1H-imidazol-5-yl)ethyl]triazole?
The IUPAC name of 1-(cyclohexylmethyl)-4-[2-(1H-imidazol-5-yl)ethyl]triazole (CID 51354876) is 1-(cyclohexylmethyl)-4-[2-(1H-imidazol-5-yl)ethyl]triazole.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-[2-(1H-imidazol-5-yl)ethyl]triazole?
The canonical SMILES for 1-(cyclohexylmethyl)-4-[2-(1H-imidazol-5-yl)ethyl]triazole is c1ncc(CCc2cn(CC3CCCCC3)nn2)[nH]1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-[2-(1H-imidazol-5-yl)ethyl]triazole?
The InChIKey is RXXNFVRDAPDQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-2-4-12(5-3-1)9-19-10-14(17-18-19)7-6-13-8-15-11-16-13/h8,10-12H,1-7,9H2,(H,15,16).
What are the key properties of 1-(cyclohexylmethyl)-4-[2-(1H-imidazol-5-yl)ethyl]triazole?
1-(cyclohexylmethyl)-4-[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 1-(cyclohexylmethyl)-4-[2-(1H-imidazol-5-yl)ethyl]triazole is sourced from PubChem (CID 51354876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).