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

C15H19ClN4O — CID 99828071

IUPAC(2R,5R)-2-(3-chlorophenyl)-5-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]morpholine
SMILESC[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1ncnn1C
InChIInChI=1S/C15H19ClN4O/c1-11-9-21-14(12-4-3-5-13(16)6-12)7-20(11)8-15-17-10-18-19(15)2/h3-6,10-11,14H,7-9H2,1-2H3/t11-,14+/m1/s1
InChIKeyJTDQGFXHVYHHFF-RISCZKNCSA-N
MW306.80 g/mol
LogP2.43
Rot. Bonds3

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

(2R,5R)-2-(3-chlorophenyl)-5-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]morpholine (PubChem CID 99828071) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is (2R,5R)-2-(3-chlorophenyl)-5-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name(2R,5R)-2-(3-chlorophenyl)-5-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]morpholine
PubChem CID99828071
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name(2R,5R)-2-(3-chlorophenyl)-5-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]morpholine
SMILESC[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1ncnn1C
InChIInChI=1S/C15H19ClN4O/c1-11-9-21-14(12-4-3-5-13(16)6-12)7-20(11)8-15-17-10-18-19(15)2/h3-6,10-11,14H,7-9H2,1-2H3/t11-,14+/m1/s1
InChIKeyJTDQGFXHVYHHFF-RISCZKNCSA-N
XLogP2.43
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-(3-chlorophenyl)-5-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]morpholine?
The IUPAC name of (2R,5R)-2-(3-chlorophenyl)-5-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]morpholine (CID 99828071) is (2R,5R)-2-(3-chlorophenyl)-5-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]morpholine.
What is the SMILES notation for (2R,5R)-2-(3-chlorophenyl)-5-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]morpholine?
The canonical SMILES for (2R,5R)-2-(3-chlorophenyl)-5-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]morpholine is C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1ncnn1C.
What is the InChIKey of (2R,5R)-2-(3-chlorophenyl)-5-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]morpholine?
The InChIKey is JTDQGFXHVYHHFF-RISCZKNCSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-11-9-21-14(12-4-3-5-13(16)6-12)7-20(11)8-15-17-10-18-19(15)2/h3-6,10-11,14H,7-9H2,1-2H3/t11-,14+/m1/s1.
What are the key properties of (2R,5R)-2-(3-chlorophenyl)-5-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]morpholine?
(2R,5R)-2-(3-chlorophenyl)-5-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]morpholine has a molecular weight of 306.80 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-(3-chlorophenyl)-5-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]morpholine is sourced from PubChem (CID 99828071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).