1-cyclohexyl-5-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole

C15H26N4O — CID 97204642

IUPAC1-cyclohexyl-5-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole
SMILESCOCCN1CC[C@H](c2ncnn2C2CCCCC2)C1
InChIInChI=1S/C15H26N4O/c1-20-10-9-18-8-7-13(11-18)15-16-12-17-19(15)14-5-3-2-4-6-14/h12-14H,2-11H2,1H3/t13-/m0/s1
InChIKeyXGXXBKAGUXBZFJ-ZDUSSCGKSA-N
MW278.40 g/mol
LogP2.22
Rot. Bonds5

About 1-cyclohexyl-5-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole

1-cyclohexyl-5-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole (PubChem CID 97204642) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-cyclohexyl-5-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole.

Molecular Properties

Compound Name1-cyclohexyl-5-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole
PubChem CID97204642
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-cyclohexyl-5-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole
SMILESCOCCN1CC[C@H](c2ncnn2C2CCCCC2)C1
InChIInChI=1S/C15H26N4O/c1-20-10-9-18-8-7-13(11-18)15-16-12-17-19(15)14-5-3-2-4-6-14/h12-14H,2-11H2,1H3/t13-/m0/s1
InChIKeyXGXXBKAGUXBZFJ-ZDUSSCGKSA-N
XLogP2.22
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-cyclohexyl-5-[(3S)-1-(2-methoxyethyl)pyrrolidin-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

Related Compounds

3-[4-(2-Methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine
CID 73439203
4-(2-Methylpropyl)-3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]-1,2,4-triazole
CID 72129865
4-(2-methylpropyl)-3-[(2S)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]-1,2,4-triazole
CID 95773988
4-(2-methylpropyl)-3-[(2R)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]-1,2,4-triazole
CID 95773989
(3S)-1-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine
CID 129612410
(3R)-1-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine
CID 129612412
1-(2-Methoxyethyl)-3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine
CID 131905368
4-[4-(2-Methoxyethyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine
CID 62711583
3-(4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)cyclohexanamine
CID 63044428
4-(2-Methoxyethyl)-3-(4-methylcyclohexyl)-1,2,4-triazole
CID 71235965
1-Tert-butyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine
CID 118230662
2-(ethoxymethyl)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
CID 155480098

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole?
The IUPAC name of 1-cyclohexyl-5-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole (CID 97204642) is 1-cyclohexyl-5-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole.
What is the SMILES notation for 1-cyclohexyl-5-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole?
The canonical SMILES for 1-cyclohexyl-5-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole is COCCN1CC[C@H](c2ncnn2C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-5-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole?
The InChIKey is XGXXBKAGUXBZFJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N4O/c1-20-10-9-18-8-7-13(11-18)15-16-12-17-19(15)14-5-3-2-4-6-14/h12-14H,2-11H2,1H3/t13-/m0/s1.
What are the key properties of 1-cyclohexyl-5-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole?
1-cyclohexyl-5-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole has a molecular weight of 278.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-triazole is sourced from PubChem (CID 97204642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).