[1-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexyl]methanol

C10H14Cl2N4O — CID 81035955

IUPAC[1-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexyl]methanol
SMILESOCC1(Nc2nc(Cl)nnc2Cl)CCCCC1
InChIInChI=1S/C10H14Cl2N4O/c11-7-8(13-9(12)16-15-7)14-10(6-17)4-2-1-3-5-10/h17H,1-6H2,(H,13,14,16)
InChIKeyUWUZDOZYSHMKOU-UHFFFAOYSA-N
MW277.15 g/mol
LogP2.29
Rot. Bonds3

About [1-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexyl]methanol

[1-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexyl]methanol (PubChem CID 81035955) has the molecular formula C10H14Cl2N4O and a molecular weight of 277.15 g/mol. Its IUPAC name is [1-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexyl]methanol
PubChem CID81035955
Molecular FormulaC10H14Cl2N4O
Molecular Weight277.15 g/mol
Exact Mass276.05
IUPAC Name[1-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexyl]methanol
SMILESOCC1(Nc2nc(Cl)nnc2Cl)CCCCC1
InChIInChI=1S/C10H14Cl2N4O/c11-7-8(13-9(12)16-15-7)14-10(6-17)4-2-1-3-5-10/h17H,1-6H2,(H,13,14,16)
InChIKeyUWUZDOZYSHMKOU-UHFFFAOYSA-N
XLogP2.29
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexyl]methanol with MolForge

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Related Compounds

[1-[(2-chloro-5-iodopyrimidin-4-yl)amino]cyclohexyl]methanol
CID 138598108
[1-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 80832083
[1-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclohexyl]methanol
CID 63023085
[1-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]cyclohexyl]methanol
CID 102757923
4-chloro-6-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpyrimidine-5-carbaldehyde
CID 80733092
[1-[(2-chloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol
CID 114043278
[1-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentyl]methanol
CID 103321492
[1-[(3-aminopyrazin-2-yl)amino]cyclohexyl]methanol
CID 102984251
6-chloro-2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
CID 114093940
3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-methylpyrazin-2-one
CID 62940974
[1-[(5-iodopyrimidin-2-yl)amino]cyclohexyl]methanol
CID 116648405
[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]methanol
CID 65209442

Frequently Asked Questions

What is the IUPAC name of [1-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexyl]methanol?
The IUPAC name of [1-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexyl]methanol (CID 81035955) is [1-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [1-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexyl]methanol is OCC1(Nc2nc(Cl)nnc2Cl)CCCCC1.
What is the InChIKey of [1-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexyl]methanol?
The InChIKey is UWUZDOZYSHMKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N4O/c11-7-8(13-9(12)16-15-7)14-10(6-17)4-2-1-3-5-10/h17H,1-6H2,(H,13,14,16).
What are the key properties of [1-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexyl]methanol?
[1-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexyl]methanol has a molecular weight of 277.15 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 81035955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).