3-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-1-ol

C13H23N5O2 — CID 3080118

IUPAC3-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-1-ol
SMILESCCCc1nc(NCCCO)nc(N2CCOCC2)n1
InChIInChI=1S/C13H23N5O2/c1-2-4-11-15-12(14-5-3-8-19)17-13(16-11)18-6-9-20-10-7-18/h19H,2-10H2,1H3,(H,14,15,16,17)
InChIKeyDZXOKDOHCGDYHA-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.46
Rot. Bonds7

About 3-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-1-ol

3-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-1-ol (PubChem CID 3080118) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-1-ol
PubChem CID3080118
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name3-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-1-ol
SMILESCCCc1nc(NCCCO)nc(N2CCOCC2)n1
InChIInChI=1S/C13H23N5O2/c1-2-4-11-15-12(14-5-3-8-19)17-13(16-11)18-6-9-20-10-7-18/h19H,2-10H2,1H3,(H,14,15,16,17)
InChIKeyDZXOKDOHCGDYHA-UHFFFAOYSA-N
XLogP0.46
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 3-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-1-ol?
The IUPAC name of 3-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-1-ol (CID 3080118) is 3-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-1-ol is CCCc1nc(NCCCO)nc(N2CCOCC2)n1.
What is the InChIKey of 3-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-1-ol?
The InChIKey is DZXOKDOHCGDYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-2-4-11-15-12(14-5-3-8-19)17-13(16-11)18-6-9-20-10-7-18/h19H,2-10H2,1H3,(H,14,15,16,17).
What are the key properties of 3-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-1-ol?
3-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-1-ol has a molecular weight of 281.36 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-1-ol is sourced from PubChem (CID 3080118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).