2-(chloromethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-methylmorpholine

C11H17ClN4O — CID 102937108

IUPAC2-(chloromethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-methylmorpholine
SMILESCc1nnc(N2CC(C)OC(CCl)C2)nc1C
InChIInChI=1S/C11H17ClN4O/c1-7-5-16(6-10(4-12)17-7)11-13-8(2)9(3)14-15-11/h7,10H,4-6H2,1-3H3
InChIKeyBFNSKODWIFAIBZ-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.32
Rot. Bonds2

About 2-(chloromethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-methylmorpholine

2-(chloromethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-methylmorpholine (PubChem CID 102937108) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-methylmorpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-methylmorpholine
PubChem CID102937108
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name2-(chloromethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-methylmorpholine
SMILESCc1nnc(N2CC(C)OC(CCl)C2)nc1C
InChIInChI=1S/C11H17ClN4O/c1-7-5-16(6-10(4-12)17-7)11-13-8(2)9(3)14-15-11/h7,10H,4-6H2,1-3H3
InChIKeyBFNSKODWIFAIBZ-UHFFFAOYSA-N
XLogP1.32
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-methylmorpholine?
The IUPAC name of 2-(chloromethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-methylmorpholine (CID 102937108) is 2-(chloromethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-methylmorpholine.
What is the SMILES notation for 2-(chloromethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-methylmorpholine?
The canonical SMILES for 2-(chloromethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-methylmorpholine is Cc1nnc(N2CC(C)OC(CCl)C2)nc1C.
What is the InChIKey of 2-(chloromethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-methylmorpholine?
The InChIKey is BFNSKODWIFAIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-7-5-16(6-10(4-12)17-7)11-13-8(2)9(3)14-15-11/h7,10H,4-6H2,1-3H3.
What are the key properties of 2-(chloromethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-methylmorpholine?
2-(chloromethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-methylmorpholine has a molecular weight of 256.74 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-methylmorpholine is sourced from PubChem (CID 102937108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).