(2S)-4-[(1S)-1-pyridin-3-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine

C14H19N5O — CID 95326714

IUPAC(2S)-4-[(1S)-1-pyridin-3-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
SMILESC[C@@H](c1cccnc1)N1CCO[C@H](Cn2cncn2)C1
InChIInChI=1S/C14H19N5O/c1-12(13-3-2-4-15-7-13)18-5-6-20-14(8-18)9-19-11-16-10-17-19/h2-4,7,10-12,14H,5-6,8-9H2,1H3/t12-,14-/m0/s1
InChIKeyGRIHUDVFILOXRD-JSGCOSHPSA-N
MW273.34 g/mol
LogP1.14
Rot. Bonds4

About (2S)-4-[(1S)-1-pyridin-3-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine

(2S)-4-[(1S)-1-pyridin-3-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine (PubChem CID 95326714) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is (2S)-4-[(1S)-1-pyridin-3-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(1S)-1-pyridin-3-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
PubChem CID95326714
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name(2S)-4-[(1S)-1-pyridin-3-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
SMILESC[C@@H](c1cccnc1)N1CCO[C@H](Cn2cncn2)C1
InChIInChI=1S/C14H19N5O/c1-12(13-3-2-4-15-7-13)18-5-6-20-14(8-18)9-19-11-16-10-17-19/h2-4,7,10-12,14H,5-6,8-9H2,1H3/t12-,14-/m0/s1
InChIKeyGRIHUDVFILOXRD-JSGCOSHPSA-N
XLogP1.14
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(1S)-1-pyridin-3-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The IUPAC name of (2S)-4-[(1S)-1-pyridin-3-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine (CID 95326714) is (2S)-4-[(1S)-1-pyridin-3-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine.
What is the SMILES notation for (2S)-4-[(1S)-1-pyridin-3-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The canonical SMILES for (2S)-4-[(1S)-1-pyridin-3-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine is C[C@@H](c1cccnc1)N1CCO[C@H](Cn2cncn2)C1.
What is the InChIKey of (2S)-4-[(1S)-1-pyridin-3-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The InChIKey is GRIHUDVFILOXRD-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H19N5O/c1-12(13-3-2-4-15-7-13)18-5-6-20-14(8-18)9-19-11-16-10-17-19/h2-4,7,10-12,14H,5-6,8-9H2,1H3/t12-,14-/m0/s1.
What are the key properties of (2S)-4-[(1S)-1-pyridin-3-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
(2S)-4-[(1S)-1-pyridin-3-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine has a molecular weight of 273.34 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(1S)-1-pyridin-3-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine is sourced from PubChem (CID 95326714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).