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

C9H16N4O — CID 61277740

IUPAC5-ethyl-3-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole
SMILESCCc1nc(C2CC(OC)CN2)n[nH]1
InChIInChI=1S/C9H16N4O/c1-3-8-11-9(13-12-8)7-4-6(14-2)5-10-7/h6-7,10H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyBXTWTZNJEIADRE-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.42
Rot. Bonds3

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

5-ethyl-3-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole (PubChem CID 61277740) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-ethyl-3-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-ethyl-3-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole
PubChem CID61277740
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name5-ethyl-3-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole
SMILESCCc1nc(C2CC(OC)CN2)n[nH]1
InChIInChI=1S/C9H16N4O/c1-3-8-11-9(13-12-8)7-4-6(14-2)5-10-7/h6-7,10H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyBXTWTZNJEIADRE-UHFFFAOYSA-N
XLogP0.42
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole?
The IUPAC name of 5-ethyl-3-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole (CID 61277740) is 5-ethyl-3-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-ethyl-3-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole?
The canonical SMILES for 5-ethyl-3-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole is CCc1nc(C2CC(OC)CN2)n[nH]1.
What is the InChIKey of 5-ethyl-3-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole?
The InChIKey is BXTWTZNJEIADRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-8-11-9(13-12-8)7-4-6(14-2)5-10-7/h6-7,10H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of 5-ethyl-3-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole?
5-ethyl-3-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole has a molecular weight of 196.25 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 61277740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).