morpholin-4-yl-[(2S)-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methanone

C13H21N5O2 — CID 91832547

IUPACmorpholin-4-yl-[(2S)-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1CCCN1CCn1cncn1)N1CCOCC1
InChIInChI=1S/C13H21N5O2/c19-13(17-6-8-20-9-7-17)12-2-1-3-16(12)4-5-18-11-14-10-15-18/h10-12H,1-9H2/t12-/m0/s1
InChIKeyXHGBOOHGHYUXOX-LBPRGKRZSA-N
MW279.34 g/mol
LogP-0.40
Rot. Bonds4

About morpholin-4-yl-[(2S)-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methanone

morpholin-4-yl-[(2S)-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methanone (PubChem CID 91832547) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is morpholin-4-yl-[(2S)-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[(2S)-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methanone
PubChem CID91832547
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Namemorpholin-4-yl-[(2S)-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1CCCN1CCn1cncn1)N1CCOCC1
InChIInChI=1S/C13H21N5O2/c19-13(17-6-8-20-9-7-17)12-2-1-3-16(12)4-5-18-11-14-10-15-18/h10-12H,1-9H2/t12-/m0/s1
InChIKeyXHGBOOHGHYUXOX-LBPRGKRZSA-N
XLogP-0.40
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[(2S)-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[(2S)-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methanone (CID 91832547) is morpholin-4-yl-[(2S)-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[(2S)-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[(2S)-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methanone is O=C([C@@H]1CCCN1CCn1cncn1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[(2S)-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methanone?
The InChIKey is XHGBOOHGHYUXOX-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H21N5O2/c19-13(17-6-8-20-9-7-17)12-2-1-3-16(12)4-5-18-11-14-10-15-18/h10-12H,1-9H2/t12-/m0/s1.
What are the key properties of morpholin-4-yl-[(2S)-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methanone?
morpholin-4-yl-[(2S)-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methanone has a molecular weight of 279.34 g/mol, XLogP of -0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[(2S)-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methanone is sourced from PubChem (CID 91832547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).