3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one

C8H16N4O2 — CID 136689794

IUPAC3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCN(Cc1n[nH]c(=O)[nH]1)CC(C)(C)O
InChIInChI=1S/C8H16N4O2/c1-8(2,14)5-12(3)4-6-9-7(13)11-10-6/h14H,4-5H2,1-3H3,(H2,9,10,11,13)
InChIKeyQDYALWMYDSJAML-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.70
Rot. Bonds4

About 3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one

3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 136689794) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID136689794
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCN(Cc1n[nH]c(=O)[nH]1)CC(C)(C)O
InChIInChI=1S/C8H16N4O2/c1-8(2,14)5-12(3)4-6-9-7(13)11-10-6/h14H,4-5H2,1-3H3,(H2,9,10,11,13)
InChIKeyQDYALWMYDSJAML-UHFFFAOYSA-N
XLogP-0.70
TPSA85.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2,2-Dimethylpropyl(3-hydroxypropyl)amino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136689788
3-[[2-Hydroxyethyl(pentyl)amino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136689791
3-[[Ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136689793
3-[[2-Hydroxypropyl(propan-2-yl)amino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136768237
3-[[2-Hydroxyethyl(3-hydroxypropyl)amino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136768239

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one (CID 136689794) is 3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one is CN(Cc1n[nH]c(=O)[nH]1)CC(C)(C)O.
What is the InChIKey of 3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is QDYALWMYDSJAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-8(2,14)5-12(3)4-6-9-7(13)11-10-6/h14H,4-5H2,1-3H3,(H2,9,10,11,13).
What are the key properties of 3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 200.24 g/mol, XLogP of -0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 136689794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).