1-(cyclohexylmethyl)-5-(1H-imidazol-5-ylmethyl)-3-(oxolan-3-yl)-1,2,4-triazole

C17H25N5O — CID 74243906

IUPAC1-(cyclohexylmethyl)-5-(1H-imidazol-5-ylmethyl)-3-(oxolan-3-yl)-1,2,4-triazole
SMILESc1ncc(Cc2nc(C3CCOC3)nn2CC2CCCCC2)[nH]1
InChIInChI=1S/C17H25N5O/c1-2-4-13(5-3-1)10-22-16(8-15-9-18-12-19-15)20-17(21-22)14-6-7-23-11-14/h9,12-14H,1-8,10-11H2,(H,18,19)
InChIKeyWGHWQQDKPFONLG-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.68
Rot. Bonds5

About 1-(cyclohexylmethyl)-5-(1H-imidazol-5-ylmethyl)-3-(oxolan-3-yl)-1,2,4-triazole

1-(cyclohexylmethyl)-5-(1H-imidazol-5-ylmethyl)-3-(oxolan-3-yl)-1,2,4-triazole (PubChem CID 74243906) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-(1H-imidazol-5-ylmethyl)-3-(oxolan-3-yl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5-(1H-imidazol-5-ylmethyl)-3-(oxolan-3-yl)-1,2,4-triazole
PubChem CID74243906
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name1-(cyclohexylmethyl)-5-(1H-imidazol-5-ylmethyl)-3-(oxolan-3-yl)-1,2,4-triazole
SMILESc1ncc(Cc2nc(C3CCOC3)nn2CC2CCCCC2)[nH]1
InChIInChI=1S/C17H25N5O/c1-2-4-13(5-3-1)10-22-16(8-15-9-18-12-19-15)20-17(21-22)14-6-7-23-11-14/h9,12-14H,1-8,10-11H2,(H,18,19)
InChIKeyWGHWQQDKPFONLG-UHFFFAOYSA-N
XLogP2.68
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(cyclohexylmethyl)-5-(1H-imidazol-5-ylmethyl)-3-(oxolan-3-yl)-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5-(1H-imidazol-5-ylmethyl)-3-(oxolan-3-yl)-1,2,4-triazole?
The IUPAC name of 1-(cyclohexylmethyl)-5-(1H-imidazol-5-ylmethyl)-3-(oxolan-3-yl)-1,2,4-triazole (CID 74243906) is 1-(cyclohexylmethyl)-5-(1H-imidazol-5-ylmethyl)-3-(oxolan-3-yl)-1,2,4-triazole.
What is the SMILES notation for 1-(cyclohexylmethyl)-5-(1H-imidazol-5-ylmethyl)-3-(oxolan-3-yl)-1,2,4-triazole?
The canonical SMILES for 1-(cyclohexylmethyl)-5-(1H-imidazol-5-ylmethyl)-3-(oxolan-3-yl)-1,2,4-triazole is c1ncc(Cc2nc(C3CCOC3)nn2CC2CCCCC2)[nH]1.
What is the InChIKey of 1-(cyclohexylmethyl)-5-(1H-imidazol-5-ylmethyl)-3-(oxolan-3-yl)-1,2,4-triazole?
The InChIKey is WGHWQQDKPFONLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-2-4-13(5-3-1)10-22-16(8-15-9-18-12-19-15)20-17(21-22)14-6-7-23-11-14/h9,12-14H,1-8,10-11H2,(H,18,19).
What are the key properties of 1-(cyclohexylmethyl)-5-(1H-imidazol-5-ylmethyl)-3-(oxolan-3-yl)-1,2,4-triazole?
1-(cyclohexylmethyl)-5-(1H-imidazol-5-ylmethyl)-3-(oxolan-3-yl)-1,2,4-triazole has a molecular weight of 315.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5-(1H-imidazol-5-ylmethyl)-3-(oxolan-3-yl)-1,2,4-triazole is sourced from PubChem (CID 74243906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).