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

C13H22N4O — CID 62722711

IUPAC3-cyclopentyl-5-(4-methoxypyrrolidin-2-yl)-1-methyl-1,2,4-triazole
SMILESCOC1CNC(c2nc(C3CCCC3)nn2C)C1
InChIInChI=1S/C13H22N4O/c1-17-13(11-7-10(18-2)8-14-11)15-12(16-17)9-5-3-4-6-9/h9-11,14H,3-8H2,1-2H3
InChIKeyFTURUZZDIDYHKE-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.52
Rot. Bonds3

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

3-cyclopentyl-5-(4-methoxypyrrolidin-2-yl)-1-methyl-1,2,4-triazole (PubChem CID 62722711) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-cyclopentyl-5-(4-methoxypyrrolidin-2-yl)-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopentyl-5-(4-methoxypyrrolidin-2-yl)-1-methyl-1,2,4-triazole
PubChem CID62722711
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-cyclopentyl-5-(4-methoxypyrrolidin-2-yl)-1-methyl-1,2,4-triazole
SMILESCOC1CNC(c2nc(C3CCCC3)nn2C)C1
InChIInChI=1S/C13H22N4O/c1-17-13(11-7-10(18-2)8-14-11)15-12(16-17)9-5-3-4-6-9/h9-11,14H,3-8H2,1-2H3
InChIKeyFTURUZZDIDYHKE-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-(4-methoxypyrrolidin-2-yl)-1-methyl-1,2,4-triazole?
The IUPAC name of 3-cyclopentyl-5-(4-methoxypyrrolidin-2-yl)-1-methyl-1,2,4-triazole (CID 62722711) is 3-cyclopentyl-5-(4-methoxypyrrolidin-2-yl)-1-methyl-1,2,4-triazole.
What is the SMILES notation for 3-cyclopentyl-5-(4-methoxypyrrolidin-2-yl)-1-methyl-1,2,4-triazole?
The canonical SMILES for 3-cyclopentyl-5-(4-methoxypyrrolidin-2-yl)-1-methyl-1,2,4-triazole is COC1CNC(c2nc(C3CCCC3)nn2C)C1.
What is the InChIKey of 3-cyclopentyl-5-(4-methoxypyrrolidin-2-yl)-1-methyl-1,2,4-triazole?
The InChIKey is FTURUZZDIDYHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-17-13(11-7-10(18-2)8-14-11)15-12(16-17)9-5-3-4-6-9/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 3-cyclopentyl-5-(4-methoxypyrrolidin-2-yl)-1-methyl-1,2,4-triazole?
3-cyclopentyl-5-(4-methoxypyrrolidin-2-yl)-1-methyl-1,2,4-triazole has a molecular weight of 250.35 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-(4-methoxypyrrolidin-2-yl)-1-methyl-1,2,4-triazole is sourced from PubChem (CID 62722711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).