4-cyclohexyl-3-(4-methoxypyrrolidin-2-yl)-1,2,4-triazole

C13H22N4O — CID 55107402

IUPAC4-cyclohexyl-3-(4-methoxypyrrolidin-2-yl)-1,2,4-triazole
SMILESCOC1CNC(c2nncn2C2CCCCC2)C1
InChIInChI=1S/C13H22N4O/c1-18-11-7-12(14-8-11)13-16-15-9-17(13)10-5-3-2-4-6-10/h9-12,14H,2-8H2,1H3
InChIKeyBAFFKHMOTUOZHW-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.83
Rot. Bonds3

About 4-cyclohexyl-3-(4-methoxypyrrolidin-2-yl)-1,2,4-triazole

4-cyclohexyl-3-(4-methoxypyrrolidin-2-yl)-1,2,4-triazole (PubChem CID 55107402) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-cyclohexyl-3-(4-methoxypyrrolidin-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-cyclohexyl-3-(4-methoxypyrrolidin-2-yl)-1,2,4-triazole
PubChem CID55107402
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-cyclohexyl-3-(4-methoxypyrrolidin-2-yl)-1,2,4-triazole
SMILESCOC1CNC(c2nncn2C2CCCCC2)C1
InChIInChI=1S/C13H22N4O/c1-18-11-7-12(14-8-11)13-16-15-9-17(13)10-5-3-2-4-6-10/h9-12,14H,2-8H2,1H3
InChIKeyBAFFKHMOTUOZHW-UHFFFAOYSA-N
XLogP1.83
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cyclohexyl-3-(4-methoxypyrrolidin-2-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

N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 50953849
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine
CID 50961413
(3R,5S)-5-(1-cyclohexyl-3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol
CID 72896473
3-[(2S,4R)-4-Methoxypyrrolidin-2-yl]-4-methyl-4H-1,2,4-triazole
CID 94552503
(1S)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine
CID 164634458
3-[(2S,4R)-4-methoxy-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]-4-methyl-1,2,4-triazole
CID 128982107
(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrrolidine-1-carboxamide
CID 138000498
N-{1-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}cyclopentanamine
CID 50981187
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-amine
CID 63335152
3-(4-methoxypyrrolidin-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 43142771
3-(4-methoxypyrrolidin-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 43142815
1-(4-methyl-1,2,4-triazol-3-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43703258

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-3-(4-methoxypyrrolidin-2-yl)-1,2,4-triazole?
The IUPAC name of 4-cyclohexyl-3-(4-methoxypyrrolidin-2-yl)-1,2,4-triazole (CID 55107402) is 4-cyclohexyl-3-(4-methoxypyrrolidin-2-yl)-1,2,4-triazole.
What is the SMILES notation for 4-cyclohexyl-3-(4-methoxypyrrolidin-2-yl)-1,2,4-triazole?
The canonical SMILES for 4-cyclohexyl-3-(4-methoxypyrrolidin-2-yl)-1,2,4-triazole is COC1CNC(c2nncn2C2CCCCC2)C1.
What is the InChIKey of 4-cyclohexyl-3-(4-methoxypyrrolidin-2-yl)-1,2,4-triazole?
The InChIKey is BAFFKHMOTUOZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-18-11-7-12(14-8-11)13-16-15-9-17(13)10-5-3-2-4-6-10/h9-12,14H,2-8H2,1H3.
What are the key properties of 4-cyclohexyl-3-(4-methoxypyrrolidin-2-yl)-1,2,4-triazole?
4-cyclohexyl-3-(4-methoxypyrrolidin-2-yl)-1,2,4-triazole has a molecular weight of 250.35 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3-(4-methoxypyrrolidin-2-yl)-1,2,4-triazole is sourced from PubChem (CID 55107402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).