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

C11H20N4O2 — CID 104924279

IUPAC1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNc1nnc(C)c(C)n1
InChIInChI=1S/C11H20N4O2/c1-8-9(2)14-15-10(13-8)12-7-11(3,16)5-6-17-4/h16H,5-7H2,1-4H3,(H,12,13,15)
InChIKeyJMFVZYOFLAPKMZ-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.69
Rot. Bonds6

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

1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methoxy-2-methylbutan-2-ol (PubChem CID 104924279) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methoxy-2-methylbutan-2-ol
PubChem CID104924279
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNc1nnc(C)c(C)n1
InChIInChI=1S/C11H20N4O2/c1-8-9(2)14-15-10(13-8)12-7-11(3,16)5-6-17-4/h16H,5-7H2,1-4H3,(H,12,13,15)
InChIKeyJMFVZYOFLAPKMZ-UHFFFAOYSA-N
XLogP0.69
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methoxy-2-methylbutan-2-ol (CID 104924279) is 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methoxy-2-methylbutan-2-ol is COCCC(C)(O)CNc1nnc(C)c(C)n1.
What is the InChIKey of 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The InChIKey is JMFVZYOFLAPKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-8-9(2)14-15-10(13-8)12-7-11(3,16)5-6-17-4/h16H,5-7H2,1-4H3,(H,12,13,15).
What are the key properties of 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methoxy-2-methylbutan-2-ol?
1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methoxy-2-methylbutan-2-ol has a molecular weight of 240.31 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 104924279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).