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

C13H22N4O — CID 61361779

IUPAC4-cyclopentyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole
SMILESCOC1CNC(c2nnc(C)n2C2CCCC2)C1
InChIInChI=1S/C13H22N4O/c1-9-15-16-13(12-7-11(18-2)8-14-12)17(9)10-5-3-4-6-10/h10-12,14H,3-8H2,1-2H3
InChIKeyCCLIWUVEHVPHAJ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.75
Rot. Bonds3

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

4-cyclopentyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole (PubChem CID 61361779) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-cyclopentyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole.

Molecular Properties

Compound Name4-cyclopentyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole
PubChem CID61361779
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-cyclopentyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole
SMILESCOC1CNC(c2nnc(C)n2C2CCCC2)C1
InChIInChI=1S/C13H22N4O/c1-9-15-16-13(12-7-11(18-2)8-14-12)17(9)10-5-3-4-6-10/h10-12,14H,3-8H2,1-2H3
InChIKeyCCLIWUVEHVPHAJ-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole?
The IUPAC name of 4-cyclopentyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole (CID 61361779) is 4-cyclopentyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole.
What is the SMILES notation for 4-cyclopentyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole?
The canonical SMILES for 4-cyclopentyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole is COC1CNC(c2nnc(C)n2C2CCCC2)C1.
What is the InChIKey of 4-cyclopentyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole?
The InChIKey is CCLIWUVEHVPHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-15-16-13(12-7-11(18-2)8-14-12)17(9)10-5-3-4-6-10/h10-12,14H,3-8H2,1-2H3.
What are the key properties of 4-cyclopentyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole?
4-cyclopentyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole has a molecular weight of 250.35 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-3-(4-methoxypyrrolidin-2-yl)-5-methyl-1,2,4-triazole is sourced from PubChem (CID 61361779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).