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

C10H18N4O — CID 61337357

IUPAC5-(4-methoxypyrrolidin-2-yl)-3-propan-2-yl-1H-1,2,4-triazole
SMILESCOC1CNC(c2nc(C(C)C)n[nH]2)C1
InChIInChI=1S/C10H18N4O/c1-6(2)9-12-10(14-13-9)8-4-7(15-3)5-11-8/h6-8,11H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyZNZFZTBHTNUJCB-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.98
Rot. Bonds3

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

5-(4-methoxypyrrolidin-2-yl)-3-propan-2-yl-1H-1,2,4-triazole (PubChem CID 61337357) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-(4-methoxypyrrolidin-2-yl)-3-propan-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(4-methoxypyrrolidin-2-yl)-3-propan-2-yl-1H-1,2,4-triazole
PubChem CID61337357
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name5-(4-methoxypyrrolidin-2-yl)-3-propan-2-yl-1H-1,2,4-triazole
SMILESCOC1CNC(c2nc(C(C)C)n[nH]2)C1
InChIInChI=1S/C10H18N4O/c1-6(2)9-12-10(14-13-9)8-4-7(15-3)5-11-8/h6-8,11H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyZNZFZTBHTNUJCB-UHFFFAOYSA-N
XLogP0.98
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxypyrrolidin-2-yl)-3-propan-2-yl-1H-1,2,4-triazole?
The IUPAC name of 5-(4-methoxypyrrolidin-2-yl)-3-propan-2-yl-1H-1,2,4-triazole (CID 61337357) is 5-(4-methoxypyrrolidin-2-yl)-3-propan-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 5-(4-methoxypyrrolidin-2-yl)-3-propan-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 5-(4-methoxypyrrolidin-2-yl)-3-propan-2-yl-1H-1,2,4-triazole is COC1CNC(c2nc(C(C)C)n[nH]2)C1.
What is the InChIKey of 5-(4-methoxypyrrolidin-2-yl)-3-propan-2-yl-1H-1,2,4-triazole?
The InChIKey is ZNZFZTBHTNUJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-6(2)9-12-10(14-13-9)8-4-7(15-3)5-11-8/h6-8,11H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of 5-(4-methoxypyrrolidin-2-yl)-3-propan-2-yl-1H-1,2,4-triazole?
5-(4-methoxypyrrolidin-2-yl)-3-propan-2-yl-1H-1,2,4-triazole has a molecular weight of 210.28 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxypyrrolidin-2-yl)-3-propan-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 61337357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).