5-(2-methoxyethyl)-3-pyrrolidin-2-yl-1H-1,2,4-triazole

C9H16N4O — CID 82463430

IUPAC5-(2-methoxyethyl)-3-pyrrolidin-2-yl-1H-1,2,4-triazole
SMILESCOCCc1nc(C2CCCN2)n[nH]1
InChIInChI=1S/C9H16N4O/c1-14-6-4-8-11-9(13-12-8)7-3-2-5-10-7/h7,10H,2-6H2,1H3,(H,11,12,13)
InChIKeySLDADQYOJGXESK-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.42
Rot. Bonds4

About 5-(2-methoxyethyl)-3-pyrrolidin-2-yl-1H-1,2,4-triazole

5-(2-methoxyethyl)-3-pyrrolidin-2-yl-1H-1,2,4-triazole (PubChem CID 82463430) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-3-pyrrolidin-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-methoxyethyl)-3-pyrrolidin-2-yl-1H-1,2,4-triazole
PubChem CID82463430
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name5-(2-methoxyethyl)-3-pyrrolidin-2-yl-1H-1,2,4-triazole
SMILESCOCCc1nc(C2CCCN2)n[nH]1
InChIInChI=1S/C9H16N4O/c1-14-6-4-8-11-9(13-12-8)7-3-2-5-10-7/h7,10H,2-6H2,1H3,(H,11,12,13)
InChIKeySLDADQYOJGXESK-UHFFFAOYSA-N
XLogP0.42
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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-(2-methoxyethyl)-3-pyrrolidin-2-yl-1H-1,2,4-triazole?
The IUPAC name of 5-(2-methoxyethyl)-3-pyrrolidin-2-yl-1H-1,2,4-triazole (CID 82463430) is 5-(2-methoxyethyl)-3-pyrrolidin-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 5-(2-methoxyethyl)-3-pyrrolidin-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 5-(2-methoxyethyl)-3-pyrrolidin-2-yl-1H-1,2,4-triazole is COCCc1nc(C2CCCN2)n[nH]1.
What is the InChIKey of 5-(2-methoxyethyl)-3-pyrrolidin-2-yl-1H-1,2,4-triazole?
The InChIKey is SLDADQYOJGXESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-14-6-4-8-11-9(13-12-8)7-3-2-5-10-7/h7,10H,2-6H2,1H3,(H,11,12,13).
What are the key properties of 5-(2-methoxyethyl)-3-pyrrolidin-2-yl-1H-1,2,4-triazole?
5-(2-methoxyethyl)-3-pyrrolidin-2-yl-1H-1,2,4-triazole has a molecular weight of 196.25 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-3-pyrrolidin-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 82463430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).