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

C12H22N4O — CID 104924549

IUPAC3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1nnc(C)c(C)n1
InChIInChI=1S/C12H22N4O/c1-4-5-11(6-7-17)8-13-12-14-9(2)10(3)15-16-12/h11,17H,4-8H2,1-3H3,(H,13,14,16)
InChIKeyKNMWWKRZUHNBOZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.70
Rot. Bonds7

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

3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]hexan-1-ol (PubChem CID 104924549) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]hexan-1-ol
PubChem CID104924549
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1nnc(C)c(C)n1
InChIInChI=1S/C12H22N4O/c1-4-5-11(6-7-17)8-13-12-14-9(2)10(3)15-16-12/h11,17H,4-8H2,1-3H3,(H,13,14,16)
InChIKeyKNMWWKRZUHNBOZ-UHFFFAOYSA-N
XLogP1.70
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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

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

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Related Compounds

3-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]hexan-1-ol
CID 106544559
1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]pentan-2-ol
CID 114383247
3-[[(4-methylpyrimidin-2-yl)amino]methyl]hexan-1-ol
CID 103705117
3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]hexan-1-ol
CID 106115742
3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]butan-1-ol
CID 114448599
2-[2-(2-hydroxyethyl)pentylamino]-6-methylpyrimidine-4-carbonitrile
CID 106115688
3-[[(3-methylquinoxalin-2-yl)amino]methyl]hexan-1-ol
CID 103705127
3-[[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol
CID 106118553
3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol
CID 106118510
3-[[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol
CID 114145921
3-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]hexan-1-ol
CID 106118514
3-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol
CID 106116866

Frequently Asked Questions

What is the IUPAC name of 3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]hexan-1-ol (CID 104924549) is 3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]hexan-1-ol is CCCC(CCO)CNc1nnc(C)c(C)n1.
What is the InChIKey of 3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]hexan-1-ol?
The InChIKey is KNMWWKRZUHNBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-5-11(6-7-17)8-13-12-14-9(2)10(3)15-16-12/h11,17H,4-8H2,1-3H3,(H,13,14,16).
What are the key properties of 3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]hexan-1-ol?
3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]hexan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.70, 7 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]methyl]hexan-1-ol is sourced from PubChem (CID 104924549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).