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

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

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Related Compounds

6-chloro-N-(cyclohexylmethyl)pyridazin-3-amine
CID 3227143
6-chloro-N-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]methyl]pyridazin-3-amine
CID 10236563
8-[[(6-Chloropyridazin-3-yl)amino]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 57821779
1-[(6-Chloropyridazin-3-yl)amino]-2-methylpropan-2-ol
CID 65109016
6-chloro-N-[[4-[3-(diethylamino)prop-1-ynyl]cyclohexyl]methyl]pyridazin-3-amine
CID 87888496
trans-(1R,2R)-2-[(6-chloropyridazin-3-yl)amino]cyclohexan-1-ol
CID 92981263
1-[(6-Chloropyridazin-3-yl)amino]-3-methylbutan-2-ol
CID 116240492
2-[(6-Chloropyridazin-3-yl)amino]-1-methylcyclobutan-1-ol
CID 164606408
trans-(1R,2R)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]cyclohexan-1-ol
CID 168092894
trans-(1R,2R)-2-[(6-chloro-4-methylpyridazin-3-yl)amino]cyclohexan-1-ol
CID 168092919
cis-(1S,2R)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]cyclohexan-1-ol
CID 171545182
cis-(1R,2S)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]cyclohexan-1-ol
CID 171545285

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).