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

C10H18N6O — CID 944328

IUPAC[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide
SMILESN#CNC1=NCN(CCN2CCOCC2)CN1
InChIInChI=1S/C10H18N6O/c11-7-12-10-13-8-16(9-14-10)2-1-15-3-5-17-6-4-15/h1-6,8-9H2,(H2,12,13,14)
InChIKeyWLUNUDKQTVHRPW-UHFFFAOYSA-N
MW238.29 g/mol
LogP-1.43
Rot. Bonds3

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

[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide (PubChem CID 944328) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is [3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide.

Molecular Properties

Compound Name[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide
PubChem CID944328
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide
SMILESN#CNC1=NCN(CCN2CCOCC2)CN1
InChIInChI=1S/C10H18N6O/c11-7-12-10-13-8-16(9-14-10)2-1-15-3-5-17-6-4-15/h1-6,8-9H2,(H2,12,13,14)
InChIKeyWLUNUDKQTVHRPW-UHFFFAOYSA-N
XLogP-1.43
TPSA75.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-1.43
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'}

Analyze [3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide with MolForge

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Related Compounds

4-[2-(6-methyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethyl]morpholine
CID 66827755
4,6,7-trimethyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
CID 664190
4-fluoro-N-[3-(3-morpholin-4-ylpropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
CID 30466430
N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine
CID 942515
4,6-dimethyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
CID 655606
6-methoxy-4-methyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
CID 1093178
N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1H-imidazol-2-amine
CID 115606272
N,N-dimethyl-3-(3-morpholin-4-ylpropyliminomethylideneamino)propan-1-amine
CID 10923093
zinc;N,N-dimethyl-2-morpholin-4-ylethanamine;dichloride
CID 70152362
2-(2-morpholin-4-ylethylamino)acetonitrile
CID 28583059
2-morpholin-4-ylethyl thiocyanate
CID 59595122
4-(2-chloroethyl)morpholine;N,N-dimethylformamide;hydrochloride
CID 87292423

Frequently Asked Questions

What is the IUPAC name of [3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide?
The IUPAC name of [3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide (CID 944328) is [3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide.
What is the SMILES notation for [3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide?
The canonical SMILES for [3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide is N#CNC1=NCN(CCN2CCOCC2)CN1.
What is the InChIKey of [3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide?
The InChIKey is WLUNUDKQTVHRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c11-7-12-10-13-8-16(9-14-10)2-1-15-3-5-17-6-4-15/h1-6,8-9H2,(H2,12,13,14).
What are the key properties of [3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide?
[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide has a molecular weight of 238.29 g/mol, XLogP of -1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide is sourced from PubChem (CID 944328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).