(2R)-4-[(1S)-1-naphthalen-2-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine

C19H22N4O — CID 100841784

IUPAC(2R)-4-[(1S)-1-naphthalen-2-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
SMILESC[C@@H](c1ccc2ccccc2c1)N1CCO[C@@H](Cn2cncn2)C1
InChIInChI=1S/C19H22N4O/c1-15(17-7-6-16-4-2-3-5-18(16)10-17)22-8-9-24-19(11-22)12-23-14-20-13-21-23/h2-7,10,13-15,19H,8-9,11-12H2,1H3/t15-,19+/m0/s1
InChIKeyIVGRXQYHFUNSOK-HNAYVOBHSA-N
MW322.41 g/mol
LogP2.89
Rot. Bonds4

About (2R)-4-[(1S)-1-naphthalen-2-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine

(2R)-4-[(1S)-1-naphthalen-2-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine (PubChem CID 100841784) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is (2R)-4-[(1S)-1-naphthalen-2-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name(2R)-4-[(1S)-1-naphthalen-2-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
PubChem CID100841784
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name(2R)-4-[(1S)-1-naphthalen-2-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
SMILESC[C@@H](c1ccc2ccccc2c1)N1CCO[C@@H](Cn2cncn2)C1
InChIInChI=1S/C19H22N4O/c1-15(17-7-6-16-4-2-3-5-18(16)10-17)22-8-9-24-19(11-22)12-23-14-20-13-21-23/h2-7,10,13-15,19H,8-9,11-12H2,1H3/t15-,19+/m0/s1
InChIKeyIVGRXQYHFUNSOK-HNAYVOBHSA-N
XLogP2.89
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(1S)-1-naphthalen-2-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The IUPAC name of (2R)-4-[(1S)-1-naphthalen-2-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine (CID 100841784) is (2R)-4-[(1S)-1-naphthalen-2-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine.
What is the SMILES notation for (2R)-4-[(1S)-1-naphthalen-2-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The canonical SMILES for (2R)-4-[(1S)-1-naphthalen-2-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine is C[C@@H](c1ccc2ccccc2c1)N1CCO[C@@H](Cn2cncn2)C1.
What is the InChIKey of (2R)-4-[(1S)-1-naphthalen-2-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The InChIKey is IVGRXQYHFUNSOK-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H22N4O/c1-15(17-7-6-16-4-2-3-5-18(16)10-17)22-8-9-24-19(11-22)12-23-14-20-13-21-23/h2-7,10,13-15,19H,8-9,11-12H2,1H3/t15-,19+/m0/s1.
What are the key properties of (2R)-4-[(1S)-1-naphthalen-2-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
(2R)-4-[(1S)-1-naphthalen-2-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine has a molecular weight of 322.41 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(1S)-1-naphthalen-2-ylethyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine is sourced from PubChem (CID 100841784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).