[4-[[(5-methylpyridazin-3-yl)amino]methyl]phenyl]methanol

C13H15N3O — CID 107232489

IUPAC[4-[[(5-methylpyridazin-3-yl)amino]methyl]phenyl]methanol
SMILESCc1cnnc(NCc2ccc(CO)cc2)c1
InChIInChI=1S/C13H15N3O/c1-10-6-13(16-15-7-10)14-8-11-2-4-12(9-17)5-3-11/h2-7,17H,8-9H2,1H3,(H,14,16)
InChIKeyFFJXRIFJOZHLHA-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.89
Rot. Bonds4

About [4-[[(5-methylpyridazin-3-yl)amino]methyl]phenyl]methanol

[4-[[(5-methylpyridazin-3-yl)amino]methyl]phenyl]methanol (PubChem CID 107232489) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is [4-[[(5-methylpyridazin-3-yl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(5-methylpyridazin-3-yl)amino]methyl]phenyl]methanol
PubChem CID107232489
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name[4-[[(5-methylpyridazin-3-yl)amino]methyl]phenyl]methanol
SMILESCc1cnnc(NCc2ccc(CO)cc2)c1
InChIInChI=1S/C13H15N3O/c1-10-6-13(16-15-7-10)14-8-11-2-4-12(9-17)5-3-11/h2-7,17H,8-9H2,1H3,(H,14,16)
InChIKeyFFJXRIFJOZHLHA-UHFFFAOYSA-N
XLogP1.89
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[(4-methylsulfonylphenyl)methyl]pyridazin-3-amine
CID 106549687
[4-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231544
2,2-difluoro-3-[(5-methylpyridazin-3-yl)amino]propan-1-ol
CID 106172005
5-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridazin-3-amine
CID 106549703
N-[(2-bromophenyl)methyl]-5-methylpyridazin-3-amine
CID 106549621
5-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyridazin-3-amine
CID 106549752
N-(2,2-difluoroethyl)-5-methylpyridazin-3-amine
CID 106549890
N,2-dimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
CID 106550243
5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-amine
CID 106549584
N'-(5-methylpyridazin-3-yl)hexane-1,6-diamine
CID 107845062
5-methyl-N-(3-methylbut-3-enyl)pyridazin-3-amine
CID 130908778
N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyridazin-3-amine
CID 106549558

Frequently Asked Questions

What is the IUPAC name of [4-[[(5-methylpyridazin-3-yl)amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[(5-methylpyridazin-3-yl)amino]methyl]phenyl]methanol (CID 107232489) is [4-[[(5-methylpyridazin-3-yl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[(5-methylpyridazin-3-yl)amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[(5-methylpyridazin-3-yl)amino]methyl]phenyl]methanol is Cc1cnnc(NCc2ccc(CO)cc2)c1.
What is the InChIKey of [4-[[(5-methylpyridazin-3-yl)amino]methyl]phenyl]methanol?
The InChIKey is FFJXRIFJOZHLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10-6-13(16-15-7-10)14-8-11-2-4-12(9-17)5-3-11/h2-7,17H,8-9H2,1H3,(H,14,16).
What are the key properties of [4-[[(5-methylpyridazin-3-yl)amino]methyl]phenyl]methanol?
[4-[[(5-methylpyridazin-3-yl)amino]methyl]phenyl]methanol has a molecular weight of 229.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(5-methylpyridazin-3-yl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 107232489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).