1-[[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]methyl]cyclohexan-1-ol

C14H21N5O — CID 56878354

IUPAC1-[[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]methyl]cyclohexan-1-ol
SMILESCCn1ncnc1-c1nccn1CC1(O)CCCCC1
InChIInChI=1S/C14H21N5O/c1-2-19-13(16-11-17-19)12-15-8-9-18(12)10-14(20)6-4-3-5-7-14/h8-9,11,20H,2-7,10H2,1H3
InChIKeyIMEGNOAMFHUJSG-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.86
Rot. Bonds4

About 1-[[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]methyl]cyclohexan-1-ol

1-[[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]methyl]cyclohexan-1-ol (PubChem CID 56878354) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-[[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]methyl]cyclohexan-1-ol
PubChem CID56878354
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1-[[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]methyl]cyclohexan-1-ol
SMILESCCn1ncnc1-c1nccn1CC1(O)CCCCC1
InChIInChI=1S/C14H21N5O/c1-2-19-13(16-11-17-19)12-15-8-9-18(12)10-14(20)6-4-3-5-7-14/h8-9,11,20H,2-7,10H2,1H3
InChIKeyIMEGNOAMFHUJSG-UHFFFAOYSA-N
XLogP1.86
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]methyl]cyclohexan-1-ol (CID 56878354) is 1-[[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]methyl]cyclohexan-1-ol is CCn1ncnc1-c1nccn1CC1(O)CCCCC1.
What is the InChIKey of 1-[[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is IMEGNOAMFHUJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-2-19-13(16-11-17-19)12-15-8-9-18(12)10-14(20)6-4-3-5-7-14/h8-9,11,20H,2-7,10H2,1H3.
What are the key properties of 1-[[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]methyl]cyclohexan-1-ol?
1-[[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 275.36 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 56878354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).