1-[[(6-chloropyridazin-3-yl)amino]methyl]-4-methylcyclohexan-1-ol

C12H18ClN3O — CID 65118460

IUPAC1-[[(6-chloropyridazin-3-yl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNc2ccc(Cl)nn2)CC1
InChIInChI=1S/C12H18ClN3O/c1-9-4-6-12(17,7-5-9)8-14-11-3-2-10(13)15-16-11/h2-3,9,17H,4-8H2,1H3,(H,14,16)
InChIKeyZONYZBGRFBUWFW-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.48
Rot. Bonds3

About 1-[[(6-chloropyridazin-3-yl)amino]methyl]-4-methylcyclohexan-1-ol

1-[[(6-chloropyridazin-3-yl)amino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 65118460) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 1-[[(6-chloropyridazin-3-yl)amino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(6-chloropyridazin-3-yl)amino]methyl]-4-methylcyclohexan-1-ol
PubChem CID65118460
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name1-[[(6-chloropyridazin-3-yl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNc2ccc(Cl)nn2)CC1
InChIInChI=1S/C12H18ClN3O/c1-9-4-6-12(17,7-5-9)8-14-11-3-2-10(13)15-16-11/h2-3,9,17H,4-8H2,1H3,(H,14,16)
InChIKeyZONYZBGRFBUWFW-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

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Frequently Asked Questions

What is the IUPAC name of 1-[[(6-chloropyridazin-3-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(6-chloropyridazin-3-yl)amino]methyl]-4-methylcyclohexan-1-ol (CID 65118460) is 1-[[(6-chloropyridazin-3-yl)amino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(6-chloropyridazin-3-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(6-chloropyridazin-3-yl)amino]methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(CNc2ccc(Cl)nn2)CC1.
What is the InChIKey of 1-[[(6-chloropyridazin-3-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is ZONYZBGRFBUWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-9-4-6-12(17,7-5-9)8-14-11-3-2-10(13)15-16-11/h2-3,9,17H,4-8H2,1H3,(H,14,16).
What are the key properties of 1-[[(6-chloropyridazin-3-yl)amino]methyl]-4-methylcyclohexan-1-ol?
1-[[(6-chloropyridazin-3-yl)amino]methyl]-4-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-chloropyridazin-3-yl)amino]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 65118460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).