4-pyrrolidin-3-yloxy-2H-triazole

C6H10N4O — CID 84649935

IUPAC4-pyrrolidin-3-yloxy-2H-triazole
SMILESc1n[nH]nc1OC1CCNC1
InChIInChI=1S/C6H10N4O/c1-2-7-3-5(1)11-6-4-8-10-9-6/h4-5,7H,1-3H2,(H,8,9,10)
InChIKeyMRXWFIBVRHPMHY-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.45
Rot. Bonds2

About 4-pyrrolidin-3-yloxy-2H-triazole

4-pyrrolidin-3-yloxy-2H-triazole (PubChem CID 84649935) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 4-pyrrolidin-3-yloxy-2H-triazole.

Molecular Properties

Compound Name4-pyrrolidin-3-yloxy-2H-triazole
PubChem CID84649935
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name4-pyrrolidin-3-yloxy-2H-triazole
SMILESc1n[nH]nc1OC1CCNC1
InChIInChI=1S/C6H10N4O/c1-2-7-3-5(1)11-6-4-8-10-9-6/h4-5,7H,1-3H2,(H,8,9,10)
InChIKeyMRXWFIBVRHPMHY-UHFFFAOYSA-N
XLogP-0.45
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-3-yloxy-2H-triazole?
The IUPAC name of 4-pyrrolidin-3-yloxy-2H-triazole (CID 84649935) is 4-pyrrolidin-3-yloxy-2H-triazole.
What is the SMILES notation for 4-pyrrolidin-3-yloxy-2H-triazole?
The canonical SMILES for 4-pyrrolidin-3-yloxy-2H-triazole is c1n[nH]nc1OC1CCNC1.
What is the InChIKey of 4-pyrrolidin-3-yloxy-2H-triazole?
The InChIKey is MRXWFIBVRHPMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-2-7-3-5(1)11-6-4-8-10-9-6/h4-5,7H,1-3H2,(H,8,9,10).
What are the key properties of 4-pyrrolidin-3-yloxy-2H-triazole?
4-pyrrolidin-3-yloxy-2H-triazole has a molecular weight of 154.17 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-3-yloxy-2H-triazole is sourced from PubChem (CID 84649935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).