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

C11H21N5O — CID 104924994

IUPAC1-(dimethylamino)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-2-ol
SMILESCc1nnc(NCC(C)(O)CN(C)C)nc1C
InChIInChI=1S/C11H21N5O/c1-8-9(2)14-15-10(13-8)12-6-11(3,17)7-16(4)5/h17H,6-7H2,1-5H3,(H,12,13,15)
InChIKeyCKFQWHGBJVVMMK-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.21
Rot. Bonds5

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

1-(dimethylamino)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-2-ol (PubChem CID 104924994) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-2-ol
PubChem CID104924994
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name1-(dimethylamino)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-2-ol
SMILESCc1nnc(NCC(C)(O)CN(C)C)nc1C
InChIInChI=1S/C11H21N5O/c1-8-9(2)14-15-10(13-8)12-6-11(3,17)7-16(4)5/h17H,6-7H2,1-5H3,(H,12,13,15)
InChIKeyCKFQWHGBJVVMMK-UHFFFAOYSA-N
XLogP0.21
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-2-ol (CID 104924994) is 1-(dimethylamino)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-2-ol is Cc1nnc(NCC(C)(O)CN(C)C)nc1C.
What is the InChIKey of 1-(dimethylamino)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-2-ol?
The InChIKey is CKFQWHGBJVVMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-8-9(2)14-15-10(13-8)12-6-11(3,17)7-16(4)5/h17H,6-7H2,1-5H3,(H,12,13,15).
What are the key properties of 1-(dimethylamino)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-2-ol?
1-(dimethylamino)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-2-ol has a molecular weight of 239.32 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 104924994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).