[6-[cyclohexylmethyl(methyl)amino]pyridazin-3-yl]methanol

C13H21N3O — CID 54949130

IUPAC[6-[cyclohexylmethyl(methyl)amino]pyridazin-3-yl]methanol
SMILESCN(CC1CCCCC1)c1ccc(CO)nn1
InChIInChI=1S/C13H21N3O/c1-16(9-11-5-3-2-4-6-11)13-8-7-12(10-17)14-15-13/h7-8,11,17H,2-6,9-10H2,1H3
InChIKeyMVOMQLHIYAJGQZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.99
Rot. Bonds4

About [6-[cyclohexylmethyl(methyl)amino]pyridazin-3-yl]methanol

[6-[cyclohexylmethyl(methyl)amino]pyridazin-3-yl]methanol (PubChem CID 54949130) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [6-[cyclohexylmethyl(methyl)amino]pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-[cyclohexylmethyl(methyl)amino]pyridazin-3-yl]methanol
PubChem CID54949130
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[6-[cyclohexylmethyl(methyl)amino]pyridazin-3-yl]methanol
SMILESCN(CC1CCCCC1)c1ccc(CO)nn1
InChIInChI=1S/C13H21N3O/c1-16(9-11-5-3-2-4-6-11)13-8-7-12(10-17)14-15-13/h7-8,11,17H,2-6,9-10H2,1H3
InChIKeyMVOMQLHIYAJGQZ-UHFFFAOYSA-N
XLogP1.99
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[cyclohexylmethyl(methyl)amino]pyridazin-3-yl]methanol?
The IUPAC name of [6-[cyclohexylmethyl(methyl)amino]pyridazin-3-yl]methanol (CID 54949130) is [6-[cyclohexylmethyl(methyl)amino]pyridazin-3-yl]methanol.
What is the SMILES notation for [6-[cyclohexylmethyl(methyl)amino]pyridazin-3-yl]methanol?
The canonical SMILES for [6-[cyclohexylmethyl(methyl)amino]pyridazin-3-yl]methanol is CN(CC1CCCCC1)c1ccc(CO)nn1.
What is the InChIKey of [6-[cyclohexylmethyl(methyl)amino]pyridazin-3-yl]methanol?
The InChIKey is MVOMQLHIYAJGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-16(9-11-5-3-2-4-6-11)13-8-7-12(10-17)14-15-13/h7-8,11,17H,2-6,9-10H2,1H3.
What are the key properties of [6-[cyclohexylmethyl(methyl)amino]pyridazin-3-yl]methanol?
[6-[cyclohexylmethyl(methyl)amino]pyridazin-3-yl]methanol has a molecular weight of 235.33 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[cyclohexylmethyl(methyl)amino]pyridazin-3-yl]methanol is sourced from PubChem (CID 54949130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).