1-methyl-5-pyrrolidin-3-yloxytriazole

C7H12N4O — CID 84653062

IUPAC1-methyl-5-pyrrolidin-3-yloxytriazole
SMILESCn1nncc1OC1CCNC1
InChIInChI=1S/C7H12N4O/c1-11-7(5-9-10-11)12-6-2-3-8-4-6/h5-6,8H,2-4H2,1H3
InChIKeyHAOCKFNKEJONFJ-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.44
Rot. Bonds2

About 1-methyl-5-pyrrolidin-3-yloxytriazole

1-methyl-5-pyrrolidin-3-yloxytriazole (PubChem CID 84653062) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-methyl-5-pyrrolidin-3-yloxytriazole.

Molecular Properties

Compound Name1-methyl-5-pyrrolidin-3-yloxytriazole
PubChem CID84653062
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name1-methyl-5-pyrrolidin-3-yloxytriazole
SMILESCn1nncc1OC1CCNC1
InChIInChI=1S/C7H12N4O/c1-11-7(5-9-10-11)12-6-2-3-8-4-6/h5-6,8H,2-4H2,1H3
InChIKeyHAOCKFNKEJONFJ-UHFFFAOYSA-N
XLogP-0.44
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-pyrrolidin-3-yloxytriazole?
The IUPAC name of 1-methyl-5-pyrrolidin-3-yloxytriazole (CID 84653062) is 1-methyl-5-pyrrolidin-3-yloxytriazole.
What is the SMILES notation for 1-methyl-5-pyrrolidin-3-yloxytriazole?
The canonical SMILES for 1-methyl-5-pyrrolidin-3-yloxytriazole is Cn1nncc1OC1CCNC1.
What is the InChIKey of 1-methyl-5-pyrrolidin-3-yloxytriazole?
The InChIKey is HAOCKFNKEJONFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-11-7(5-9-10-11)12-6-2-3-8-4-6/h5-6,8H,2-4H2,1H3.
What are the key properties of 1-methyl-5-pyrrolidin-3-yloxytriazole?
1-methyl-5-pyrrolidin-3-yloxytriazole has a molecular weight of 168.20 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-pyrrolidin-3-yloxytriazole is sourced from PubChem (CID 84653062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).