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

C10H18N4O — CID 114383249

IUPAC1-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]-2-methylpropan-2-ol
SMILESCc1nnc(N(C)CC(C)(C)O)nc1C
InChIInChI=1S/C10H18N4O/c1-7-8(2)12-13-9(11-7)14(5)6-10(3,4)15/h15H,6H2,1-5H3
InChIKeyYKHAVBMWZLOYKJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.70
Rot. Bonds3

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

1-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]-2-methylpropan-2-ol (PubChem CID 114383249) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]-2-methylpropan-2-ol
PubChem CID114383249
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]-2-methylpropan-2-ol
SMILESCc1nnc(N(C)CC(C)(C)O)nc1C
InChIInChI=1S/C10H18N4O/c1-7-8(2)12-13-9(11-7)14(5)6-10(3,4)15/h15H,6H2,1-5H3
InChIKeyYKHAVBMWZLOYKJ-UHFFFAOYSA-N
XLogP0.70
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.70
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)-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]-2-methylpropan-2-ol (CID 114383249) is 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]-2-methylpropan-2-ol is Cc1nnc(N(C)CC(C)(C)O)nc1C.
What is the InChIKey of 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]-2-methylpropan-2-ol?
The InChIKey is YKHAVBMWZLOYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7-8(2)12-13-9(11-7)14(5)6-10(3,4)15/h15H,6H2,1-5H3.
What are the key properties of 1-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]-2-methylpropan-2-ol?
1-[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]-2-methylpropan-2-ol has a molecular weight of 210.28 g/mol, XLogP of 0.70, 3 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)-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 114383249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).