4-cyclohexyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole

C14H24N4O — CID 61361784

IUPAC4-cyclohexyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole
SMILESCOC1CNC(c2nnc(C)n2C2CCCCC2)C1
InChIInChI=1S/C14H24N4O/c1-10-16-17-14(13-8-12(19-2)9-15-13)18(10)11-6-4-3-5-7-11/h11-13,15H,3-9H2,1-2H3
InChIKeyUTSXCOUUYYKMFX-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.14
Rot. Bonds3

About 4-cyclohexyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole

4-cyclohexyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole (PubChem CID 61361784) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-cyclohexyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole.

Molecular Properties

Compound Name4-cyclohexyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole
PubChem CID61361784
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-cyclohexyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole
SMILESCOC1CNC(c2nnc(C)n2C2CCCCC2)C1
InChIInChI=1S/C14H24N4O/c1-10-16-17-14(13-8-12(19-2)9-15-13)18(10)11-6-4-3-5-7-11/h11-13,15H,3-9H2,1-2H3
InChIKeyUTSXCOUUYYKMFX-UHFFFAOYSA-N
XLogP2.14
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole?
The IUPAC name of 4-cyclohexyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole (CID 61361784) is 4-cyclohexyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole.
What is the SMILES notation for 4-cyclohexyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole?
The canonical SMILES for 4-cyclohexyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole is COC1CNC(c2nnc(C)n2C2CCCCC2)C1.
What is the InChIKey of 4-cyclohexyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole?
The InChIKey is UTSXCOUUYYKMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10-16-17-14(13-8-12(19-2)9-15-13)18(10)11-6-4-3-5-7-11/h11-13,15H,3-9H2,1-2H3.
What are the key properties of 4-cyclohexyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole?
4-cyclohexyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole has a molecular weight of 264.37 g/mol, XLogP of 2.14, 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)-5-methyl-1,2,4-triazole is sourced from PubChem (CID 61361784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).