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

C10H16N4O2 — CID 104925043

IUPAC3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]oxolan-3-ol
SMILESCc1nnc(NCC2(O)CCOC2)nc1C
InChIInChI=1S/C10H16N4O2/c1-7-8(2)13-14-9(12-7)11-5-10(15)3-4-16-6-10/h15H,3-6H2,1-2H3,(H,11,12,14)
InChIKeyHDQWGLZRVYMLPE-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.05
Rot. Bonds3

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

3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]oxolan-3-ol (PubChem CID 104925043) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]oxolan-3-ol
PubChem CID104925043
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]oxolan-3-ol
SMILESCc1nnc(NCC2(O)CCOC2)nc1C
InChIInChI=1S/C10H16N4O2/c1-7-8(2)13-14-9(12-7)11-5-10(15)3-4-16-6-10/h15H,3-6H2,1-2H3,(H,11,12,14)
InChIKeyHDQWGLZRVYMLPE-UHFFFAOYSA-N
XLogP0.05
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-[[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]methyl]oxolan-3-ol
CID 106102101
6-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylpyridine-3-carboxylic acid
CID 114143616
3-[[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxolan-3-ol
CID 106103384
[1-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]cyclopropyl]methanol
CID 114448681
3-[[(5-methyl-2-pyridinyl)amino]methyl]oxolan-3-ol
CID 103847710
3-[[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 106103244
3-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106103341
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849554
N-[[1-(chloromethyl)cyclohexyl]methyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114787922
3-[[(2-chloro-6-methyl-5-nitropyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 114143702
3-[[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106102696
3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 114143772

Frequently Asked Questions

What is the IUPAC name of 3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]oxolan-3-ol (CID 104925043) is 3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]oxolan-3-ol is Cc1nnc(NCC2(O)CCOC2)nc1C.
What is the InChIKey of 3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]oxolan-3-ol?
The InChIKey is HDQWGLZRVYMLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7-8(2)13-14-9(12-7)11-5-10(15)3-4-16-6-10/h15H,3-6H2,1-2H3,(H,11,12,14).
What are the key properties of 3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]oxolan-3-ol?
3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]oxolan-3-ol has a molecular weight of 224.26 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 104925043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).