[1-(azetidin-3-yl)triazol-4-yl]-pyrrolidin-1-ylmethanone

C10H15N5O — CID 79316104

IUPAC[1-(azetidin-3-yl)triazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cn(C2CNC2)nn1)N1CCCC1
InChIInChI=1S/C10H15N5O/c16-10(14-3-1-2-4-14)9-7-15(13-12-9)8-5-11-6-8/h7-8,11H,1-6H2
InChIKeyDWOXNWSTUQPGQX-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.34
Rot. Bonds2

About [1-(azetidin-3-yl)triazol-4-yl]-pyrrolidin-1-ylmethanone

[1-(azetidin-3-yl)triazol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 79316104) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is [1-(azetidin-3-yl)triazol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(azetidin-3-yl)triazol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID79316104
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name[1-(azetidin-3-yl)triazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cn(C2CNC2)nn1)N1CCCC1
InChIInChI=1S/C10H15N5O/c16-10(14-3-1-2-4-14)9-7-15(13-12-9)8-5-11-6-8/h7-8,11H,1-6H2
InChIKeyDWOXNWSTUQPGQX-UHFFFAOYSA-N
XLogP-0.34
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(azetidin-3-yl)triazol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(azetidin-3-yl)triazol-4-yl]-pyrrolidin-1-ylmethanone (CID 79316104) is [1-(azetidin-3-yl)triazol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(azetidin-3-yl)triazol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(azetidin-3-yl)triazol-4-yl]-pyrrolidin-1-ylmethanone is O=C(c1cn(C2CNC2)nn1)N1CCCC1.
What is the InChIKey of [1-(azetidin-3-yl)triazol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is DWOXNWSTUQPGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c16-10(14-3-1-2-4-14)9-7-15(13-12-9)8-5-11-6-8/h7-8,11H,1-6H2.
What are the key properties of [1-(azetidin-3-yl)triazol-4-yl]-pyrrolidin-1-ylmethanone?
[1-(azetidin-3-yl)triazol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 221.26 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(azetidin-3-yl)triazol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 79316104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).