[3-(3-morpholin-4-ylpropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide

C11H20N6O — CID 3165068

IUPAC[3-(3-morpholin-4-ylpropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide
SMILESN#CNC1=NCN(CCCN2CCOCC2)CN1
InChIInChI=1S/C11H20N6O/c12-8-13-11-14-9-17(10-15-11)3-1-2-16-4-6-18-7-5-16/h1-7,9-10H2,(H2,13,14,15)
InChIKeyJDRUERRVPRMKMD-UHFFFAOYSA-N
MW252.32 g/mol
LogP-1.04
Rot. Bonds4

About [3-(3-morpholin-4-ylpropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide

[3-(3-morpholin-4-ylpropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide (PubChem CID 3165068) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is [3-(3-morpholin-4-ylpropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide.

Molecular Properties

Compound Name[3-(3-morpholin-4-ylpropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide
PubChem CID3165068
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name[3-(3-morpholin-4-ylpropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide
SMILESN#CNC1=NCN(CCCN2CCOCC2)CN1
InChIInChI=1S/C11H20N6O/c12-8-13-11-14-9-17(10-15-11)3-1-2-16-4-6-18-7-5-16/h1-7,9-10H2,(H2,13,14,15)
InChIKeyJDRUERRVPRMKMD-UHFFFAOYSA-N
XLogP-1.04
TPSA75.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(3-morpholin-4-ylpropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide?
The IUPAC name of [3-(3-morpholin-4-ylpropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide (CID 3165068) is [3-(3-morpholin-4-ylpropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide.
What is the SMILES notation for [3-(3-morpholin-4-ylpropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide?
The canonical SMILES for [3-(3-morpholin-4-ylpropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide is N#CNC1=NCN(CCCN2CCOCC2)CN1.
What is the InChIKey of [3-(3-morpholin-4-ylpropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide?
The InChIKey is JDRUERRVPRMKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c12-8-13-11-14-9-17(10-15-11)3-1-2-16-4-6-18-7-5-16/h1-7,9-10H2,(H2,13,14,15).
What are the key properties of [3-(3-morpholin-4-ylpropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide?
[3-(3-morpholin-4-ylpropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide has a molecular weight of 252.32 g/mol, XLogP of -1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-morpholin-4-ylpropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide is sourced from PubChem (CID 3165068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).