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

C16H22N4O2 — CID 129338250

IUPAC(2S)-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
SMILESC[C@@H]1C[C@@H]1c1ccc(CN2CCO[C@H](c3nncn3C)C2)o1
InChIInChI=1S/C16H22N4O2/c1-11-7-13(11)14-4-3-12(22-14)8-20-5-6-21-15(9-20)16-18-17-10-19(16)2/h3-4,10-11,13,15H,5-9H2,1-2H3/t11-,13+,15+/m1/s1
InChIKeyMTWBTBQJIMTGQG-ZLDLUXBVSA-N
MW302.38 g/mol
LogP2.11
Rot. Bonds4

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

(2S)-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine (PubChem CID 129338250) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (2S)-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
PubChem CID129338250
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(2S)-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
SMILESC[C@@H]1C[C@@H]1c1ccc(CN2CCO[C@H](c3nncn3C)C2)o1
InChIInChI=1S/C16H22N4O2/c1-11-7-13(11)14-4-3-12(22-14)8-20-5-6-21-15(9-20)16-18-17-10-19(16)2/h3-4,10-11,13,15H,5-9H2,1-2H3/t11-,13+,15+/m1/s1
InChIKeyMTWBTBQJIMTGQG-ZLDLUXBVSA-N
XLogP2.11
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of (2S)-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine (CID 129338250) is (2S)-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for (2S)-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for (2S)-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine is C[C@@H]1C[C@@H]1c1ccc(CN2CCO[C@H](c3nncn3C)C2)o1.
What is the InChIKey of (2S)-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is MTWBTBQJIMTGQG-ZLDLUXBVSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11-7-13(11)14-4-3-12(22-14)8-20-5-6-21-15(9-20)16-18-17-10-19(16)2/h3-4,10-11,13,15H,5-9H2,1-2H3/t11-,13+,15+/m1/s1.
What are the key properties of (2S)-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
(2S)-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 302.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 129338250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).