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

C10H18N4O — CID 61336782

IUPAC3-(4-methoxypyrrolidin-2-yl)-5-propyl-1H-1,2,4-triazole
SMILESCCCc1nc(C2CC(OC)CN2)n[nH]1
InChIInChI=1S/C10H18N4O/c1-3-4-9-12-10(14-13-9)8-5-7(15-2)6-11-8/h7-8,11H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyZDXLWNVQSFUFSO-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.81
Rot. Bonds4

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

3-(4-methoxypyrrolidin-2-yl)-5-propyl-1H-1,2,4-triazole (PubChem CID 61336782) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(4-methoxypyrrolidin-2-yl)-5-propyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(4-methoxypyrrolidin-2-yl)-5-propyl-1H-1,2,4-triazole
PubChem CID61336782
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-(4-methoxypyrrolidin-2-yl)-5-propyl-1H-1,2,4-triazole
SMILESCCCc1nc(C2CC(OC)CN2)n[nH]1
InChIInChI=1S/C10H18N4O/c1-3-4-9-12-10(14-13-9)8-5-7(15-2)6-11-8/h7-8,11H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyZDXLWNVQSFUFSO-UHFFFAOYSA-N
XLogP0.81
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxypyrrolidin-2-yl)-5-propyl-1H-1,2,4-triazole?
The IUPAC name of 3-(4-methoxypyrrolidin-2-yl)-5-propyl-1H-1,2,4-triazole (CID 61336782) is 3-(4-methoxypyrrolidin-2-yl)-5-propyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-(4-methoxypyrrolidin-2-yl)-5-propyl-1H-1,2,4-triazole?
The canonical SMILES for 3-(4-methoxypyrrolidin-2-yl)-5-propyl-1H-1,2,4-triazole is CCCc1nc(C2CC(OC)CN2)n[nH]1.
What is the InChIKey of 3-(4-methoxypyrrolidin-2-yl)-5-propyl-1H-1,2,4-triazole?
The InChIKey is ZDXLWNVQSFUFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-4-9-12-10(14-13-9)8-5-7(15-2)6-11-8/h7-8,11H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of 3-(4-methoxypyrrolidin-2-yl)-5-propyl-1H-1,2,4-triazole?
3-(4-methoxypyrrolidin-2-yl)-5-propyl-1H-1,2,4-triazole has a molecular weight of 210.28 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxypyrrolidin-2-yl)-5-propyl-1H-1,2,4-triazole is sourced from PubChem (CID 61336782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).