N-methyl-2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]ethanamine

C11H18N4O — CID 105479389

IUPACN-methyl-2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]ethanamine
SMILESCNCCc1nncc(C2CCCCO2)n1
InChIInChI=1S/C11H18N4O/c1-12-6-5-11-14-9(8-13-15-11)10-4-2-3-7-16-10/h8,10,12H,2-7H2,1H3
InChIKeyXRRKMIWLFHBXIZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.88
Rot. Bonds4

About N-methyl-2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]ethanamine

N-methyl-2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]ethanamine (PubChem CID 105479389) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-methyl-2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]ethanamine
PubChem CID105479389
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-methyl-2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]ethanamine
SMILESCNCCc1nncc(C2CCCCO2)n1
InChIInChI=1S/C11H18N4O/c1-12-6-5-11-14-9(8-13-15-11)10-4-2-3-7-16-10/h8,10,12H,2-7H2,1H3
InChIKeyXRRKMIWLFHBXIZ-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]ethanamine?
The IUPAC name of N-methyl-2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]ethanamine (CID 105479389) is N-methyl-2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]ethanamine?
The canonical SMILES for N-methyl-2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]ethanamine is CNCCc1nncc(C2CCCCO2)n1.
What is the InChIKey of N-methyl-2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]ethanamine?
The InChIKey is XRRKMIWLFHBXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-12-6-5-11-14-9(8-13-15-11)10-4-2-3-7-16-10/h8,10,12H,2-7H2,1H3.
What are the key properties of N-methyl-2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]ethanamine?
N-methyl-2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]ethanamine has a molecular weight of 222.29 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]ethanamine is sourced from PubChem (CID 105479389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).