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

C12H22N4O — CID 104925012

IUPAC2-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1nnc(C)c(C)n1
InChIInChI=1S/C12H22N4O/c1-5-12(6-2,8-17)7-13-11-14-9(3)10(4)15-16-11/h17H,5-8H2,1-4H3,(H,13,14,16)
InChIKeyWDWYCIPEUCDMDA-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.70
Rot. Bonds6

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

2-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]-2-ethylbutan-1-ol (PubChem CID 104925012) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]-2-ethylbutan-1-ol
PubChem CID104925012
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1nnc(C)c(C)n1
InChIInChI=1S/C12H22N4O/c1-5-12(6-2,8-17)7-13-11-14-9(3)10(4)15-16-11/h17H,5-8H2,1-4H3,(H,13,14,16)
InChIKeyWDWYCIPEUCDMDA-UHFFFAOYSA-N
XLogP1.70
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]-2-ethylbutan-1-ol (CID 104925012) is 2-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNc1nnc(C)c(C)n1.
What is the InChIKey of 2-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]-2-ethylbutan-1-ol?
The InChIKey is WDWYCIPEUCDMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-12(6-2,8-17)7-13-11-14-9(3)10(4)15-16-11/h17H,5-8H2,1-4H3,(H,13,14,16).
What are the key properties of 2-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]-2-ethylbutan-1-ol?
2-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]-2-ethylbutan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 104925012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).