1-ethyl-5-pyrrolidin-3-yloxytriazole

C8H14N4O — CID 130486946

IUPAC1-ethyl-5-pyrrolidin-3-yloxytriazole
SMILESCCn1nncc1OC1CCNC1
InChIInChI=1S/C8H14N4O/c1-2-12-8(6-10-11-12)13-7-3-4-9-5-7/h6-7,9H,2-5H2,1H3
InChIKeyJJVBZLQNACDEFH-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.04
Rot. Bonds3

About 1-ethyl-5-pyrrolidin-3-yloxytriazole

1-ethyl-5-pyrrolidin-3-yloxytriazole (PubChem CID 130486946) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-ethyl-5-pyrrolidin-3-yloxytriazole.

Molecular Properties

Compound Name1-ethyl-5-pyrrolidin-3-yloxytriazole
PubChem CID130486946
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name1-ethyl-5-pyrrolidin-3-yloxytriazole
SMILESCCn1nncc1OC1CCNC1
InChIInChI=1S/C8H14N4O/c1-2-12-8(6-10-11-12)13-7-3-4-9-5-7/h6-7,9H,2-5H2,1H3
InChIKeyJJVBZLQNACDEFH-UHFFFAOYSA-N
XLogP0.04
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-Ethoxytriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 141077994
N-methyl-2-(1-methyltriazol-4-yl)oxyethanamine
CID 174275022
1,1'-(Butane-1,4-diyl)bis(5-ethoxy-1H-1,2,3-triazole)
CID 13153497
2-[(1-methyl-1H-1,2,3-triazol-5-yl)oxy]ethan-1-amine
CID 84648747
4-pyrrolidin-3-yloxy-2H-triazole
CID 84649935
3-[(1-methyl-1H-1,2,3-triazol-5-yl)oxy]propan-1-amine
CID 84650385
1-methyl-5-(pyrrolidin-3-yloxy)-1H-1,2,3-triazole
CID 84653062
4-[(1-methyl-1H-1,2,3-triazol-5-yl)oxy]piperidine
CID 84658566
1-Methyl-5-(pyrrolidin-2-ylmethoxy)triazole
CID 84658567
1-Methyl-5-(pyrrolidin-3-ylmethoxy)triazole
CID 84658568
1-(1,2,5-Thiadiazol-3-yloxy)-3-[2-(triazol-1-yl)ethylamino]propan-2-ol
CID 104444769
5-(azetidin-3-yloxy)-1-methyl-1H-1,2,3-triazole
CID 126974503

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-pyrrolidin-3-yloxytriazole?
The IUPAC name of 1-ethyl-5-pyrrolidin-3-yloxytriazole (CID 130486946) is 1-ethyl-5-pyrrolidin-3-yloxytriazole.
What is the SMILES notation for 1-ethyl-5-pyrrolidin-3-yloxytriazole?
The canonical SMILES for 1-ethyl-5-pyrrolidin-3-yloxytriazole is CCn1nncc1OC1CCNC1.
What is the InChIKey of 1-ethyl-5-pyrrolidin-3-yloxytriazole?
The InChIKey is JJVBZLQNACDEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-2-12-8(6-10-11-12)13-7-3-4-9-5-7/h6-7,9H,2-5H2,1H3.
What are the key properties of 1-ethyl-5-pyrrolidin-3-yloxytriazole?
1-ethyl-5-pyrrolidin-3-yloxytriazole has a molecular weight of 182.23 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-pyrrolidin-3-yloxytriazole is sourced from PubChem (CID 130486946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).