(2R)-2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholine

C15H20N4O2 — CID 97197544

IUPAC(2R)-2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholine
SMILESc1ccc(COCc2cn(C[C@H]3CNCCO3)nn2)cc1
InChIInChI=1S/C15H20N4O2/c1-2-4-13(5-3-1)11-20-12-14-9-19(18-17-14)10-15-8-16-6-7-21-15/h1-5,9,15-16H,6-8,10-12H2/t15-/m1/s1
InChIKeyQZSPVNGJLCSLOA-OAHLLOKOSA-N
MW288.35 g/mol
LogP0.98
Rot. Bonds6

About (2R)-2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholine

(2R)-2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholine (PubChem CID 97197544) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (2R)-2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholine
PubChem CID97197544
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(2R)-2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholine
SMILESc1ccc(COCc2cn(C[C@H]3CNCCO3)nn2)cc1
InChIInChI=1S/C15H20N4O2/c1-2-4-13(5-3-1)11-20-12-14-9-19(18-17-14)10-15-8-16-6-7-21-15/h1-5,9,15-16H,6-8,10-12H2/t15-/m1/s1
InChIKeyQZSPVNGJLCSLOA-OAHLLOKOSA-N
XLogP0.98
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholine?
The IUPAC name of (2R)-2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholine (CID 97197544) is (2R)-2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholine.
What is the SMILES notation for (2R)-2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholine?
The canonical SMILES for (2R)-2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholine is c1ccc(COCc2cn(C[C@H]3CNCCO3)nn2)cc1.
What is the InChIKey of (2R)-2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholine?
The InChIKey is QZSPVNGJLCSLOA-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-4-13(5-3-1)11-20-12-14-9-19(18-17-14)10-15-8-16-6-7-21-15/h1-5,9,15-16H,6-8,10-12H2/t15-/m1/s1.
What are the key properties of (2R)-2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholine?
(2R)-2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholine has a molecular weight of 288.35 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholine is sourced from PubChem (CID 97197544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).