1-[(5,6-dimethyl-1,2,4-triazin-3-yl)-ethylamino]-2-methylpropan-2-ol

C11H20N4O — CID 114448559

IUPAC1-[(5,6-dimethyl-1,2,4-triazin-3-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nnc(C)c(C)n1
InChIInChI=1S/C11H20N4O/c1-6-15(7-11(4,5)16)10-12-8(2)9(3)13-14-10/h16H,6-7H2,1-5H3
InChIKeyQRBCUICRGWIXPH-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.09
Rot. Bonds4

About 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)-ethylamino]-2-methylpropan-2-ol

1-[(5,6-dimethyl-1,2,4-triazin-3-yl)-ethylamino]-2-methylpropan-2-ol (PubChem CID 114448559) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(5,6-dimethyl-1,2,4-triazin-3-yl)-ethylamino]-2-methylpropan-2-ol
PubChem CID114448559
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-[(5,6-dimethyl-1,2,4-triazin-3-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nnc(C)c(C)n1
InChIInChI=1S/C11H20N4O/c1-6-15(7-11(4,5)16)10-12-8(2)9(3)13-14-10/h16H,6-7H2,1-5H3
InChIKeyQRBCUICRGWIXPH-UHFFFAOYSA-N
XLogP1.09
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)-ethylamino]-2-methylpropan-2-ol (CID 114448559) is 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)-ethylamino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1nnc(C)c(C)n1.
What is the InChIKey of 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)-ethylamino]-2-methylpropan-2-ol?
The InChIKey is QRBCUICRGWIXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-6-15(7-11(4,5)16)10-12-8(2)9(3)13-14-10/h16H,6-7H2,1-5H3.
What are the key properties of 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)-ethylamino]-2-methylpropan-2-ol?
1-[(5,6-dimethyl-1,2,4-triazin-3-yl)-ethylamino]-2-methylpropan-2-ol has a molecular weight of 224.31 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 114448559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).