2-[[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]methyl]phenol

C13H14ClN3O — CID 106196541

IUPAC2-[[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]methyl]phenol
SMILESCc1c(Cl)nnc(NCc2ccccc2O)c1C
InChIInChI=1S/C13H14ClN3O/c1-8-9(2)13(17-16-12(8)14)15-7-10-5-3-4-6-11(10)18/h3-6,18H,7H2,1-2H3,(H,15,17)
InChIKeyNQNLBOVRCQVVKO-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.06
Rot. Bonds3

About 2-[[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]methyl]phenol

2-[[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]methyl]phenol (PubChem CID 106196541) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-[[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]methyl]phenol
PubChem CID106196541
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-[[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]methyl]phenol
SMILESCc1c(Cl)nnc(NCc2ccccc2O)c1C
InChIInChI=1S/C13H14ClN3O/c1-8-9(2)13(17-16-12(8)14)15-7-10-5-3-4-6-11(10)18/h3-6,18H,7H2,1-2H3,(H,15,17)
InChIKeyNQNLBOVRCQVVKO-UHFFFAOYSA-N
XLogP3.06
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[(2-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 63271586
6-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-4,5-dimethylpyridazin-3-amine
CID 106192887
N-benzyl-6-chloro-4,5-dimethylpyridazin-3-amine
CID 63271969
6-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 106900542
2-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]phenol
CID 106196538
6-chloro-4,5-dimethyl-N-(3-phenylpropyl)pyridazin-3-amine
CID 63271631
6-chloro-N-[(3-methoxyphenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 63271766
6-chloro-N-[(2-chlorophenyl)methyl]-2,5-dimethylpyrimidin-4-amine
CID 63727891
4-chloro-6-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carbaldehyde
CID 106196551
6-chloro-4,5-dimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine
CID 63271585
6-chloro-4,5-dimethyl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 63271501
2-[[(2-chloro-6-methylpyrimidin-4-yl)amino]methyl]phenol
CID 53250725

Frequently Asked Questions

What is the IUPAC name of 2-[[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]methyl]phenol?
The IUPAC name of 2-[[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]methyl]phenol (CID 106196541) is 2-[[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]methyl]phenol.
What is the SMILES notation for 2-[[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]methyl]phenol?
The canonical SMILES for 2-[[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]methyl]phenol is Cc1c(Cl)nnc(NCc2ccccc2O)c1C.
What is the InChIKey of 2-[[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]methyl]phenol?
The InChIKey is NQNLBOVRCQVVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-8-9(2)13(17-16-12(8)14)15-7-10-5-3-4-6-11(10)18/h3-6,18H,7H2,1-2H3,(H,15,17).
What are the key properties of 2-[[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]methyl]phenol?
2-[[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]methyl]phenol has a molecular weight of 263.73 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]methyl]phenol is sourced from PubChem (CID 106196541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).