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

C9H13ClN4O — CID 171763557

IUPAC[3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclobutyl]methanol
SMILESCc1nc(NC2CC(CO)C2)nnc1Cl
InChIInChI=1S/C9H13ClN4O/c1-5-8(10)13-14-9(11-5)12-7-2-6(3-7)4-15/h6-7,15H,2-4H2,1H3,(H,11,12,14)
InChIKeyTXTJQFYEFBAGLG-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.02
Rot. Bonds3

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

[3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclobutyl]methanol (PubChem CID 171763557) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is [3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclobutyl]methanol.

Molecular Properties

Compound Name[3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclobutyl]methanol
PubChem CID171763557
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name[3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclobutyl]methanol
SMILESCc1nc(NC2CC(CO)C2)nnc1Cl
InChIInChI=1S/C9H13ClN4O/c1-5-8(10)13-14-9(11-5)12-7-2-6(3-7)4-15/h6-7,15H,2-4H2,1H3,(H,11,12,14)
InChIKeyTXTJQFYEFBAGLG-UHFFFAOYSA-N
XLogP1.02
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

cis-(1S,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol
CID 166099089
trans-(1R,2R)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol
CID 166099150
(3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-ethylpiperidin-3-ol
CID 166152980
3-[(6-Chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-methylcyclobutan-1-ol
CID 166152999
(3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol;hydrochloride
CID 166153015
(3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol
CID 166153016
cis-(1R,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol
CID 171763522
6-[(6-Chloro-5-methyl-1,2,4-triazin-3-yl)amino]spiro[3.3]heptan-2-ol
CID 171763533
[1-[(6-Chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclobutyl]methanol
CID 171763543
2-[1-[(6-Chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopropyl]ethanol
CID 171763546
3-[(6-Chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropan-1-ol
CID 171763548
cis-(1R,3S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclohexan-1-ol
CID 171763550

Frequently Asked Questions

What is the IUPAC name of [3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclobutyl]methanol?
The IUPAC name of [3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclobutyl]methanol (CID 171763557) is [3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclobutyl]methanol.
What is the SMILES notation for [3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclobutyl]methanol?
The canonical SMILES for [3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclobutyl]methanol is Cc1nc(NC2CC(CO)C2)nnc1Cl.
What is the InChIKey of [3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclobutyl]methanol?
The InChIKey is TXTJQFYEFBAGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O/c1-5-8(10)13-14-9(11-5)12-7-2-6(3-7)4-15/h6-7,15H,2-4H2,1H3,(H,11,12,14).
What are the key properties of [3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclobutyl]methanol?
[3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclobutyl]methanol has a molecular weight of 228.68 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclobutyl]methanol is sourced from PubChem (CID 171763557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).