2-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholine

C10H15BrN4O — CID 114787902

IUPAC2-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholine
SMILESCc1nnc(N2CCOC(CBr)C2)nc1C
InChIInChI=1S/C10H15BrN4O/c1-7-8(2)13-14-10(12-7)15-3-4-16-9(5-11)6-15/h9H,3-6H2,1-2H3
InChIKeyHFLAYVCISUQVIC-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.09
Rot. Bonds2

About 2-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholine

2-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholine (PubChem CID 114787902) has the molecular formula C10H15BrN4O and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholine
PubChem CID114787902
Molecular FormulaC10H15BrN4O
Molecular Weight287.16 g/mol
Exact Mass286.04
IUPAC Name2-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholine
SMILESCc1nnc(N2CCOC(CBr)C2)nc1C
InChIInChI=1S/C10H15BrN4O/c1-7-8(2)13-14-10(12-7)15-3-4-16-9(5-11)6-15/h9H,3-6H2,1-2H3
InChIKeyHFLAYVCISUQVIC-UHFFFAOYSA-N
XLogP1.09
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholin-2-yl]acetate
CID 114448691
6-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine
CID 114787973
2-(bromomethyl)-4-(3,6-dimethylpyrazin-2-yl)morpholine
CID 81210895
2-(bromomethyl)-4-(4-methyl-2-pyridinyl)morpholine
CID 81211013
2-(bromomethyl)-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine
CID 112635773
2-(bromomethyl)-4-(3-methyl-4-pyridinyl)morpholine
CID 81211136
3-(3-chloro-4-methylpiperidin-1-yl)-5,6-dimethyl-1,2,4-triazine
CID 102960958
[(2R)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-methylpiperazin-2-yl]methanol
CID 164640080
1-[(2R)-4-[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 99814648
2-(chloromethyl)-4-(5,6-dimethylpyrazin-2-yl)morpholine
CID 114477545
2-(bromomethyl)-4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 81210775
2-(bromomethyl)-4-(5-chloro-2-methoxypyrimidin-4-yl)morpholine
CID 81210414

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholine?
The IUPAC name of 2-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholine (CID 114787902) is 2-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholine.
What is the SMILES notation for 2-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholine?
The canonical SMILES for 2-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholine is Cc1nnc(N2CCOC(CBr)C2)nc1C.
What is the InChIKey of 2-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholine?
The InChIKey is HFLAYVCISUQVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O/c1-7-8(2)13-14-10(12-7)15-3-4-16-9(5-11)6-15/h9H,3-6H2,1-2H3.
What are the key properties of 2-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholine?
2-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholine has a molecular weight of 287.16 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)morpholine is sourced from PubChem (CID 114787902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).