1-[3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclobutyl]-N-methylmethanamine

C11H18N4O — CID 114787603

IUPAC1-[3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclobutyl]-N-methylmethanamine
SMILESCNCC1CC(Oc2nnc(C)c(C)n2)C1
InChIInChI=1S/C11H18N4O/c1-7-8(2)14-15-11(13-7)16-10-4-9(5-10)6-12-3/h9-10,12H,4-6H2,1-3H3
InChIKeyFYBSVEMUOOICMH-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.87
Rot. Bonds4

About 1-[3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclobutyl]-N-methylmethanamine

1-[3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclobutyl]-N-methylmethanamine (PubChem CID 114787603) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclobutyl]-N-methylmethanamine
PubChem CID114787603
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-[3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclobutyl]-N-methylmethanamine
SMILESCNCC1CC(Oc2nnc(C)c(C)n2)C1
InChIInChI=1S/C11H18N4O/c1-7-8(2)14-15-11(13-7)16-10-4-9(5-10)6-12-3/h9-10,12H,4-6H2,1-3H3
InChIKeyFYBSVEMUOOICMH-UHFFFAOYSA-N
XLogP0.87
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclobutyl]-N-methylmethanamine (CID 114787603) is 1-[3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclobutyl]-N-methylmethanamine is CNCC1CC(Oc2nnc(C)c(C)n2)C1.
What is the InChIKey of 1-[3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclobutyl]-N-methylmethanamine?
The InChIKey is FYBSVEMUOOICMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7-8(2)14-15-11(13-7)16-10-4-9(5-10)6-12-3/h9-10,12H,4-6H2,1-3H3.
What are the key properties of 1-[3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclobutyl]-N-methylmethanamine?
1-[3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclobutyl]-N-methylmethanamine has a molecular weight of 222.29 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 114787603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).