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

C11H20N4O — CID 104924817

IUPAC3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)Nc1nnc(C)c(C)n1
InChIInChI=1S/C11H20N4O/c1-5-11(4,6-7-16)13-10-12-8(2)9(3)14-15-10/h16H,5-7H2,1-4H3,(H,12,13,15)
InChIKeyRASLMNHWVGSJOP-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.45
Rot. Bonds5

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

3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3-methylpentan-1-ol (PubChem CID 104924817) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3-methylpentan-1-ol
PubChem CID104924817
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)Nc1nnc(C)c(C)n1
InChIInChI=1S/C11H20N4O/c1-5-11(4,6-7-16)13-10-12-8(2)9(3)14-15-10/h16H,5-7H2,1-4H3,(H,12,13,15)
InChIKeyRASLMNHWVGSJOP-UHFFFAOYSA-N
XLogP1.45
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3-methylpentan-1-ol with MolForge

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Related Compounds

3-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol
CID 103768344
3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]butan-1-ol
CID 114448599
3-methyl-3-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentan-1-ol
CID 106177820
3-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 106179542
2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylbutanamide
CID 114387575
5-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 114386986
3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]hexan-1-ol
CID 104924549
3-[(6-aminopyridazin-3-yl)amino]-3-methylpentan-1-ol
CID 106174456
4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]but-2-yn-1-ol
CID 130657687
N-(2-cyclopropylpropan-2-yl)-5,6-dimethyl-1,2,4-triazin-3-amine
CID 104924441
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136849675
3-methyl-3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 106179204

Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3-methylpentan-1-ol?
The IUPAC name of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3-methylpentan-1-ol (CID 104924817) is 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3-methylpentan-1-ol.
What is the SMILES notation for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3-methylpentan-1-ol?
The canonical SMILES for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3-methylpentan-1-ol is CCC(C)(CCO)Nc1nnc(C)c(C)n1.
What is the InChIKey of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3-methylpentan-1-ol?
The InChIKey is RASLMNHWVGSJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-5-11(4,6-7-16)13-10-12-8(2)9(3)14-15-10/h16H,5-7H2,1-4H3,(H,12,13,15).
What are the key properties of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3-methylpentan-1-ol?
3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3-methylpentan-1-ol has a molecular weight of 224.31 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3-methylpentan-1-ol is sourced from PubChem (CID 104924817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).