morpholin-4-yl-[1-[3-(naphthalen-2-ylmethylamino)propyl]triazol-4-yl]methanone

C21H25N5O2 — CID 25291197

IUPACmorpholin-4-yl-[1-[3-(naphthalen-2-ylmethylamino)propyl]triazol-4-yl]methanone
SMILESO=C(c1cn(CCCNCc2ccc3ccccc3c2)nn1)N1CCOCC1
InChIInChI=1S/C21H25N5O2/c27-21(25-10-12-28-13-11-25)20-16-26(24-23-20)9-3-8-22-15-17-6-7-18-4-1-2-5-19(18)14-17/h1-2,4-7,14,16,22H,3,8-13,15H2
InChIKeyZQLJXUUODBPGRE-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.08
Rot. Bonds7

About morpholin-4-yl-[1-[3-(naphthalen-2-ylmethylamino)propyl]triazol-4-yl]methanone

morpholin-4-yl-[1-[3-(naphthalen-2-ylmethylamino)propyl]triazol-4-yl]methanone (PubChem CID 25291197) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is morpholin-4-yl-[1-[3-(naphthalen-2-ylmethylamino)propyl]triazol-4-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-[3-(naphthalen-2-ylmethylamino)propyl]triazol-4-yl]methanone
PubChem CID25291197
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Namemorpholin-4-yl-[1-[3-(naphthalen-2-ylmethylamino)propyl]triazol-4-yl]methanone
SMILESO=C(c1cn(CCCNCc2ccc3ccccc3c2)nn1)N1CCOCC1
InChIInChI=1S/C21H25N5O2/c27-21(25-10-12-28-13-11-25)20-16-26(24-23-20)9-3-8-22-15-17-6-7-18-4-1-2-5-19(18)14-17/h1-2,4-7,14,16,22H,3,8-13,15H2
InChIKeyZQLJXUUODBPGRE-UHFFFAOYSA-N
XLogP2.08
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-[3-(naphthalen-2-ylmethylamino)propyl]triazol-4-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-[3-(naphthalen-2-ylmethylamino)propyl]triazol-4-yl]methanone (CID 25291197) is morpholin-4-yl-[1-[3-(naphthalen-2-ylmethylamino)propyl]triazol-4-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-[3-(naphthalen-2-ylmethylamino)propyl]triazol-4-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-[3-(naphthalen-2-ylmethylamino)propyl]triazol-4-yl]methanone is O=C(c1cn(CCCNCc2ccc3ccccc3c2)nn1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[1-[3-(naphthalen-2-ylmethylamino)propyl]triazol-4-yl]methanone?
The InChIKey is ZQLJXUUODBPGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c27-21(25-10-12-28-13-11-25)20-16-26(24-23-20)9-3-8-22-15-17-6-7-18-4-1-2-5-19(18)14-17/h1-2,4-7,14,16,22H,3,8-13,15H2.
What are the key properties of morpholin-4-yl-[1-[3-(naphthalen-2-ylmethylamino)propyl]triazol-4-yl]methanone?
morpholin-4-yl-[1-[3-(naphthalen-2-ylmethylamino)propyl]triazol-4-yl]methanone has a molecular weight of 379.46 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-[3-(naphthalen-2-ylmethylamino)propyl]triazol-4-yl]methanone is sourced from PubChem (CID 25291197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).