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

C12H20N4O — CID 61337379

IUPAC3-cyclopentyl-5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole
SMILESCOC1CNC(c2nc(C3CCCC3)n[nH]2)C1
InChIInChI=1S/C12H20N4O/c1-17-9-6-10(13-7-9)12-14-11(15-16-12)8-4-2-3-5-8/h8-10,13H,2-7H2,1H3,(H,14,15,16)
InChIKeyUBLISMREMHHWSB-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.51
Rot. Bonds3

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

3-cyclopentyl-5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole (PubChem CID 61337379) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-cyclopentyl-5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopentyl-5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole
PubChem CID61337379
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-cyclopentyl-5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole
SMILESCOC1CNC(c2nc(C3CCCC3)n[nH]2)C1
InChIInChI=1S/C12H20N4O/c1-17-9-6-10(13-7-9)12-14-11(15-16-12)8-4-2-3-5-8/h8-10,13H,2-7H2,1H3,(H,14,15,16)
InChIKeyUBLISMREMHHWSB-UHFFFAOYSA-N
XLogP1.51
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole?
The IUPAC name of 3-cyclopentyl-5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole (CID 61337379) is 3-cyclopentyl-5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclopentyl-5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclopentyl-5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole is COC1CNC(c2nc(C3CCCC3)n[nH]2)C1.
What is the InChIKey of 3-cyclopentyl-5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole?
The InChIKey is UBLISMREMHHWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-17-9-6-10(13-7-9)12-14-11(15-16-12)8-4-2-3-5-8/h8-10,13H,2-7H2,1H3,(H,14,15,16).
What are the key properties of 3-cyclopentyl-5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole?
3-cyclopentyl-5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole has a molecular weight of 236.32 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 61337379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).