1-[[(6-chloropyrazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol

C12H18ClN3O — CID 63963822

IUPAC1-[[(6-chloropyrazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNc2cncc(Cl)n2)C1
InChIInChI=1S/C12H18ClN3O/c1-9-3-2-4-12(17,5-9)8-15-11-7-14-6-10(13)16-11/h6-7,9,17H,2-5,8H2,1H3,(H,15,16)
InChIKeyGWYXEXQRYLZOSP-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.48
Rot. Bonds3

About 1-[[(6-chloropyrazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol

1-[[(6-chloropyrazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol (PubChem CID 63963822) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 1-[[(6-chloropyrazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(6-chloropyrazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
PubChem CID63963822
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name1-[[(6-chloropyrazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNc2cncc(Cl)n2)C1
InChIInChI=1S/C12H18ClN3O/c1-9-3-2-4-12(17,5-9)8-15-11-7-14-6-10(13)16-11/h6-7,9,17H,2-5,8H2,1H3,(H,15,16)
InChIKeyGWYXEXQRYLZOSP-UHFFFAOYSA-N
XLogP2.48
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(6-chloropyrazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol with MolForge

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Related Compounds

6-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 106551418
1-[[(5-fluoro-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65118138
1-[[(6-amino-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 80647406
3-methyl-1-[[(4-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 65118284
1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol
CID 102758689
3-methyl-1-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 104534992
1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 63962757
1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 115355176
6-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridazine-3-carboxamide
CID 79098492
5-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 107257902
1-[[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 80915152
1-[[(3-bromo-4-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 113452037

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-chloropyrazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(6-chloropyrazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol (CID 63963822) is 1-[[(6-chloropyrazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(6-chloropyrazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(6-chloropyrazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol is CC1CCCC(O)(CNc2cncc(Cl)n2)C1.
What is the InChIKey of 1-[[(6-chloropyrazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The InChIKey is GWYXEXQRYLZOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-9-3-2-4-12(17,5-9)8-15-11-7-14-6-10(13)16-11/h6-7,9,17H,2-5,8H2,1H3,(H,15,16).
What are the key properties of 1-[[(6-chloropyrazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol?
1-[[(6-chloropyrazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol has a molecular weight of 255.75 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-chloropyrazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 63963822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).