(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine

C19H26N4O — CID 95750726

IUPAC(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine
SMILESCc1nc(C)n(C[C@@H]2CN([C@@H]3CCCc4ccccc43)CCO2)n1
InChIInChI=1S/C19H26N4O/c1-14-20-15(2)23(21-14)13-17-12-22(10-11-24-17)19-9-5-7-16-6-3-4-8-18(16)19/h3-4,6,8,17,19H,5,7,9-13H2,1-2H3/t17-,19+/m0/s1
InChIKeyGZYTYSHDGUADBS-PKOBYXMFSA-N
MW326.44 g/mol
LogP2.67
Rot. Bonds3

About (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine

(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine (PubChem CID 95750726) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine
PubChem CID95750726
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine
SMILESCc1nc(C)n(C[C@@H]2CN([C@@H]3CCCc4ccccc43)CCO2)n1
InChIInChI=1S/C19H26N4O/c1-14-20-15(2)23(21-14)13-17-12-22(10-11-24-17)19-9-5-7-16-6-3-4-8-18(16)19/h3-4,6,8,17,19H,5,7,9-13H2,1-2H3/t17-,19+/m0/s1
InChIKeyGZYTYSHDGUADBS-PKOBYXMFSA-N
XLogP2.67
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine?
The IUPAC name of (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine (CID 95750726) is (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine.
What is the SMILES notation for (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine?
The canonical SMILES for (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine is Cc1nc(C)n(C[C@@H]2CN([C@@H]3CCCc4ccccc43)CCO2)n1.
What is the InChIKey of (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine?
The InChIKey is GZYTYSHDGUADBS-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14-20-15(2)23(21-14)13-17-12-22(10-11-24-17)19-9-5-7-16-6-3-4-8-18(16)19/h3-4,6,8,17,19H,5,7,9-13H2,1-2H3/t17-,19+/m0/s1.
What are the key properties of (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine?
(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine has a molecular weight of 326.44 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine is sourced from PubChem (CID 95750726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).