4-(4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-yl)morpholine

C12H17ClN4O2 — CID 79114070

IUPAC4-(4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-yl)morpholine
SMILESC=CCCCOc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C12H17ClN4O2/c1-2-3-4-7-19-12-15-10(13)14-11(16-12)17-5-8-18-9-6-17/h2H,1,3-9H2
InChIKeyYZRHNMLHQUULEI-UHFFFAOYSA-N
MW284.75 g/mol
LogP1.71
Rot. Bonds6

About 4-(4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-yl)morpholine

4-(4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-yl)morpholine (PubChem CID 79114070) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is 4-(4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-yl)morpholine
PubChem CID79114070
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name4-(4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-yl)morpholine
SMILESC=CCCCOc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C12H17ClN4O2/c1-2-3-4-7-19-12-15-10(13)14-11(16-12)17-5-8-18-9-6-17/h2H,1,3-9H2
InChIKeyYZRHNMLHQUULEI-UHFFFAOYSA-N
XLogP1.71
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(allyloxy)-N,N-dimethyl-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 2187729
4-[4,6-Bis(prop-2-enoxy)-1,3,5-triazin-2-yl]morpholine
CID 68149051
4-[4,6-Bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-4-methylmorpholin-4-ium
CID 117995512
(5S)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-ethenyl-5-methylmorpholine
CID 138660670
4-(4-But-3-enoxy-6-chloro-1,3,5-triazin-2-yl)morpholine
CID 55124289
4-(4-Chloro-6-prop-2-enoxy-1,3,5-triazin-2-yl)morpholine
CID 62868758
4-(4-Butoxy-6-chloro-1,3,5-triazin-2-yl)morpholine
CID 62869616
4-(4-But-2-enoxy-6-chloro-1,3,5-triazin-2-yl)morpholine
CID 76951032
4-chloro-N,N-diethyl-6-pent-4-enoxy-1,3,5-triazin-2-amine
CID 79112951
2-Chloro-4-pent-4-enoxy-6-piperidin-1-yl-1,3,5-triazine
CID 79113247
4-but-3-enoxy-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80860968
4-but-3-enoxy-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80860973

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-yl)morpholine?
The IUPAC name of 4-(4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-yl)morpholine (CID 79114070) is 4-(4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-yl)morpholine.
What is the SMILES notation for 4-(4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-yl)morpholine?
The canonical SMILES for 4-(4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-yl)morpholine is C=CCCCOc1nc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-yl)morpholine?
The InChIKey is YZRHNMLHQUULEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c1-2-3-4-7-19-12-15-10(13)14-11(16-12)17-5-8-18-9-6-17/h2H,1,3-9H2.
What are the key properties of 4-(4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-yl)morpholine?
4-(4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-yl)morpholine has a molecular weight of 284.75 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-yl)morpholine is sourced from PubChem (CID 79114070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).