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

C9H13ClN4O — CID 171763543

IUPAC[1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclobutyl]methanol
SMILESCc1nc(NC2(CO)CCC2)nnc1Cl
InChIInChI=1S/C9H13ClN4O/c1-6-7(10)13-14-8(11-6)12-9(5-15)3-2-4-9/h15H,2-5H2,1H3,(H,11,12,14)
InChIKeyJYRFGRGMGYYUTA-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.16
Rot. Bonds3

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

[1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclobutyl]methanol (PubChem CID 171763543) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is [1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclobutyl]methanol
PubChem CID171763543
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name[1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclobutyl]methanol
SMILESCc1nc(NC2(CO)CCC2)nnc1Cl
InChIInChI=1S/C9H13ClN4O/c1-6-7(10)13-14-8(11-6)12-9(5-15)3-2-4-9/h15H,2-5H2,1H3,(H,11,12,14)
InChIKeyJYRFGRGMGYYUTA-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclobutyl]methanol 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-[(6-Chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-methylcyclobutan-1-ol
CID 166152999
[3-[(6-Chloro-5-methyl-1,2,4-triazin-3-yl)amino]oxetan-3-yl]methanol
CID 171763504
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]cyclobutyl]methanol
CID 171763557
2-[(6-Chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-1-ol
CID 171763590
(2S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-1-ol
CID 171763596
1-[[(6-Chloro-5-methyl-1,2,4-triazin-3-yl)amino]methyl]cyclobutan-1-ol
CID 171763620
cis-(1S,2S)-2-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-methylcyclobutan-1-ol
CID 171763623
[1-[[(6-Chloro-5-methyl-1,2,4-triazin-3-yl)amino]methyl]cyclobutyl]methanol
CID 171763624
[3-[(6-Chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-bicyclo[1.1.1]pentanyl]methanol
CID 171763672
(2R)-1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]butan-2-ol
CID 171763748
2-[(5,6-Dimethyl-1,2,4-triazin-3-yl)amino]-2-methylbutan-1-ol
CID 114383258

Frequently Asked Questions

What is the IUPAC name of [1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclobutyl]methanol?
The IUPAC name of [1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclobutyl]methanol (CID 171763543) is [1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclobutyl]methanol.
What is the SMILES notation for [1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclobutyl]methanol?
The canonical SMILES for [1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclobutyl]methanol is Cc1nc(NC2(CO)CCC2)nnc1Cl.
What is the InChIKey of [1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclobutyl]methanol?
The InChIKey is JYRFGRGMGYYUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O/c1-6-7(10)13-14-8(11-6)12-9(5-15)3-2-4-9/h15H,2-5H2,1H3,(H,11,12,14).
What are the key properties of [1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclobutyl]methanol?
[1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclobutyl]methanol has a molecular weight of 228.68 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclobutyl]methanol is sourced from PubChem (CID 171763543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).