[3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]oxetan-3-yl]methanol

C8H11ClN4O2 — CID 171763504

IUPAC[3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]oxetan-3-yl]methanol
SMILESCc1nc(NC2(CO)COC2)nnc1Cl
InChIInChI=1S/C8H11ClN4O2/c1-5-6(9)12-13-7(10-5)11-8(2-14)3-15-4-8/h14H,2-4H2,1H3,(H,10,11,13)
InChIKeyHOFQLBKQESPQBE-UHFFFAOYSA-N
MW230.65 g/mol
LogP0.01
Rot. Bonds3

About [3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]oxetan-3-yl]methanol

[3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]oxetan-3-yl]methanol (PubChem CID 171763504) has the molecular formula C8H11ClN4O2 and a molecular weight of 230.65 g/mol. Its IUPAC name is [3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]oxetan-3-yl]methanol
PubChem CID171763504
Molecular FormulaC8H11ClN4O2
Molecular Weight230.65 g/mol
Exact Mass230.06
IUPAC Name[3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]oxetan-3-yl]methanol
SMILESCc1nc(NC2(CO)COC2)nnc1Cl
InChIInChI=1S/C8H11ClN4O2/c1-5-6(9)12-13-7(10-5)11-8(2-14)3-15-4-8/h14H,2-4H2,1H3,(H,10,11,13)
InChIKeyHOFQLBKQESPQBE-UHFFFAOYSA-N
XLogP0.01
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]oxetan-3-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]oxetan-3-yl]methanol?
The IUPAC name of [3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]oxetan-3-yl]methanol (CID 171763504) is [3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]oxetan-3-yl]methanol is Cc1nc(NC2(CO)COC2)nnc1Cl.
What is the InChIKey of [3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]oxetan-3-yl]methanol?
The InChIKey is HOFQLBKQESPQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O2/c1-5-6(9)12-13-7(10-5)11-8(2-14)3-15-4-8/h14H,2-4H2,1H3,(H,10,11,13).
What are the key properties of [3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]oxetan-3-yl]methanol?
[3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]oxetan-3-yl]methanol has a molecular weight of 230.65 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]oxetan-3-yl]methanol is sourced from PubChem (CID 171763504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).