4-(2-methoxyethyl)-3-(4-methylcyclohexyl)-1,2,4-triazole

C12H21N3O — CID 71235965

IUPAC4-(2-methoxyethyl)-3-(4-methylcyclohexyl)-1,2,4-triazole
SMILESCOCCn1cnnc1C1CCC(C)CC1
InChIInChI=1S/C12H21N3O/c1-10-3-5-11(6-4-10)12-14-13-9-15(12)7-8-16-2/h9-11H,3-8H2,1-2H3
InChIKeyHRMRKYLPMNIWQZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.22
Rot. Bonds4

About 4-(2-methoxyethyl)-3-(4-methylcyclohexyl)-1,2,4-triazole

4-(2-methoxyethyl)-3-(4-methylcyclohexyl)-1,2,4-triazole (PubChem CID 71235965) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-3-(4-methylcyclohexyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(2-methoxyethyl)-3-(4-methylcyclohexyl)-1,2,4-triazole
PubChem CID71235965
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-(2-methoxyethyl)-3-(4-methylcyclohexyl)-1,2,4-triazole
SMILESCOCCn1cnnc1C1CCC(C)CC1
InChIInChI=1S/C12H21N3O/c1-10-3-5-11(6-4-10)12-14-13-9-15(12)7-8-16-2/h9-11H,3-8H2,1-2H3
InChIKeyHRMRKYLPMNIWQZ-UHFFFAOYSA-N
XLogP2.22
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-Methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine
CID 73439203
1-cyclohexyl-5-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole
CID 97204642
[5-(4,4-Difluorocyclohexyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 81934435
[4-Ethyl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934695
4-Ethyl-3-[4-(trifluoromethyl)cyclohexyl]-1,2,4-triazole
CID 81934784
[4-Propyl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,4-triazol-3-yl]methanol
CID 81934849
4-Propyl-3-[4-(trifluoromethyl)cyclohexyl]-1,2,4-triazole
CID 81934892
4-(2-Methylpropyl)-3-[4-(trifluoromethyl)cyclohexyl]-1,2,4-triazole
CID 81935034
4-(2-Methoxyethyl)-3-[3-(trifluoromethyl)cyclohexyl]-1,2,4-triazole
CID 81935126
4-(2-Methoxyethyl)-3-[4-(trifluoromethyl)cyclohexyl]-1,2,4-triazole
CID 81935164
3-(Bromomethyl)-5-(4,4-difluorocyclohexyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 81935166
3-(4,4-Difluorocyclohexyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 81935211

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-3-(4-methylcyclohexyl)-1,2,4-triazole?
The IUPAC name of 4-(2-methoxyethyl)-3-(4-methylcyclohexyl)-1,2,4-triazole (CID 71235965) is 4-(2-methoxyethyl)-3-(4-methylcyclohexyl)-1,2,4-triazole.
What is the SMILES notation for 4-(2-methoxyethyl)-3-(4-methylcyclohexyl)-1,2,4-triazole?
The canonical SMILES for 4-(2-methoxyethyl)-3-(4-methylcyclohexyl)-1,2,4-triazole is COCCn1cnnc1C1CCC(C)CC1.
What is the InChIKey of 4-(2-methoxyethyl)-3-(4-methylcyclohexyl)-1,2,4-triazole?
The InChIKey is HRMRKYLPMNIWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10-3-5-11(6-4-10)12-14-13-9-15(12)7-8-16-2/h9-11H,3-8H2,1-2H3.
What are the key properties of 4-(2-methoxyethyl)-3-(4-methylcyclohexyl)-1,2,4-triazole?
4-(2-methoxyethyl)-3-(4-methylcyclohexyl)-1,2,4-triazole has a molecular weight of 223.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-3-(4-methylcyclohexyl)-1,2,4-triazole is sourced from PubChem (CID 71235965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).