2-[1-(5-amino-6-chloro-3-methylpyridazin-4-yl)ethylideneamino]phenol

C13H13ClN4O — CID 137299889

IUPAC2-[1-(5-amino-6-chloro-3-methylpyridazin-4-yl)ethylideneamino]phenol
SMILESC/C(=N\c1ccccc1O)c1c(C)nnc(Cl)c1N
InChIInChI=1S/C13H13ClN4O/c1-7(16-9-5-3-4-6-10(9)19)11-8(2)17-18-13(14)12(11)15/h3-6,19H,1-2H3,(H2,15,17)/b16-7+
InChIKeyASZYJOZLWWQYGY-FRKPEAEDSA-N
MW276.73 g/mol
LogP2.87
Rot. Bonds2

About 2-[1-(5-amino-6-chloro-3-methylpyridazin-4-yl)ethylideneamino]phenol

2-[1-(5-amino-6-chloro-3-methylpyridazin-4-yl)ethylideneamino]phenol (PubChem CID 137299889) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 2-[1-(5-amino-6-chloro-3-methylpyridazin-4-yl)ethylideneamino]phenol.

Molecular Properties

Compound Name2-[1-(5-amino-6-chloro-3-methylpyridazin-4-yl)ethylideneamino]phenol
PubChem CID137299889
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name2-[1-(5-amino-6-chloro-3-methylpyridazin-4-yl)ethylideneamino]phenol
SMILESC/C(=N\c1ccccc1O)c1c(C)nnc(Cl)c1N
InChIInChI=1S/C13H13ClN4O/c1-7(16-9-5-3-4-6-10(9)19)11-8(2)17-18-13(14)12(11)15/h3-6,19H,1-2H3,(H2,15,17)/b16-7+
InChIKeyASZYJOZLWWQYGY-FRKPEAEDSA-N
XLogP2.87
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[1-(5-Amino-6-chloro-3-methylpyridazin-4-yl)ethylideneamino]phenol
CID 134576600
3-chloro-5-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]-6-methylpyridazin-4-amine
CID 134576892
3-[(5-Amino-6-chloropyridazin-3-yl)methyl]phenol
CID 117106581
2-[(5-Amino-6-chloropyridazin-3-yl)methyl]phenol
CID 117106702
4-[(5-Amino-6-chloropyridazin-3-yl)methyl]phenol
CID 117106828
3-(5-Amino-6-chloropyridazin-3-yl)phenol
CID 117127144
2-(5-Amino-6-chloropyridazin-3-yl)phenol
CID 137000101
4-(5-Amino-6-chloropyridazin-3-yl)phenol
CID 137000103

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-amino-6-chloro-3-methylpyridazin-4-yl)ethylideneamino]phenol?
The IUPAC name of 2-[1-(5-amino-6-chloro-3-methylpyridazin-4-yl)ethylideneamino]phenol (CID 137299889) is 2-[1-(5-amino-6-chloro-3-methylpyridazin-4-yl)ethylideneamino]phenol.
What is the SMILES notation for 2-[1-(5-amino-6-chloro-3-methylpyridazin-4-yl)ethylideneamino]phenol?
The canonical SMILES for 2-[1-(5-amino-6-chloro-3-methylpyridazin-4-yl)ethylideneamino]phenol is C/C(=N\c1ccccc1O)c1c(C)nnc(Cl)c1N.
What is the InChIKey of 2-[1-(5-amino-6-chloro-3-methylpyridazin-4-yl)ethylideneamino]phenol?
The InChIKey is ASZYJOZLWWQYGY-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-7(16-9-5-3-4-6-10(9)19)11-8(2)17-18-13(14)12(11)15/h3-6,19H,1-2H3,(H2,15,17)/b16-7+.
What are the key properties of 2-[1-(5-amino-6-chloro-3-methylpyridazin-4-yl)ethylideneamino]phenol?
2-[1-(5-amino-6-chloro-3-methylpyridazin-4-yl)ethylideneamino]phenol has a molecular weight of 276.73 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-amino-6-chloro-3-methylpyridazin-4-yl)ethylideneamino]phenol is sourced from PubChem (CID 137299889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).