(2S)-4-[(2-methylfuran-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine

C13H18N4O2 — CID 164630128

IUPAC(2S)-4-[(2-methylfuran-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine
SMILESCc1nc([C@@H]2CN(Cc3ccoc3C)CCO2)n[nH]1
InChIInChI=1S/C13H18N4O2/c1-9-11(3-5-18-9)7-17-4-6-19-12(8-17)13-14-10(2)15-16-13/h3,5,12H,4,6-8H2,1-2H3,(H,14,15,16)/t12-/m0/s1
InChIKeyAYCWPZDFUXNCAO-LBPRGKRZSA-N
MW262.31 g/mol
LogP1.59
Rot. Bonds3

About (2S)-4-[(2-methylfuran-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine

(2S)-4-[(2-methylfuran-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine (PubChem CID 164630128) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2S)-4-[(2-methylfuran-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(2-methylfuran-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine
PubChem CID164630128
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name(2S)-4-[(2-methylfuran-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine
SMILESCc1nc([C@@H]2CN(Cc3ccoc3C)CCO2)n[nH]1
InChIInChI=1S/C13H18N4O2/c1-9-11(3-5-18-9)7-17-4-6-19-12(8-17)13-14-10(2)15-16-13/h3,5,12H,4,6-8H2,1-2H3,(H,14,15,16)/t12-/m0/s1
InChIKeyAYCWPZDFUXNCAO-LBPRGKRZSA-N
XLogP1.59
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2-methylfuran-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of (2S)-4-[(2-methylfuran-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine (CID 164630128) is (2S)-4-[(2-methylfuran-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for (2S)-4-[(2-methylfuran-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for (2S)-4-[(2-methylfuran-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine is Cc1nc([C@@H]2CN(Cc3ccoc3C)CCO2)n[nH]1.
What is the InChIKey of (2S)-4-[(2-methylfuran-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine?
The InChIKey is AYCWPZDFUXNCAO-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9-11(3-5-18-9)7-17-4-6-19-12(8-17)13-14-10(2)15-16-13/h3,5,12H,4,6-8H2,1-2H3,(H,14,15,16)/t12-/m0/s1.
What are the key properties of (2S)-4-[(2-methylfuran-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine?
(2S)-4-[(2-methylfuran-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine has a molecular weight of 262.31 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2-methylfuran-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 164630128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).