6-chloro-4,5-dimethyl-N-(2-phenoxyethyl)pyridazin-3-amine

C14H16ClN3O — CID 63271688

IUPAC6-chloro-4,5-dimethyl-N-(2-phenoxyethyl)pyridazin-3-amine
SMILESCc1c(Cl)nnc(NCCOc2ccccc2)c1C
InChIInChI=1S/C14H16ClN3O/c1-10-11(2)14(18-17-13(10)15)16-8-9-19-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,18)
InChIKeyZDOQESNCJUZAKH-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.24
Rot. Bonds5

About 6-chloro-4,5-dimethyl-N-(2-phenoxyethyl)pyridazin-3-amine

6-chloro-4,5-dimethyl-N-(2-phenoxyethyl)pyridazin-3-amine (PubChem CID 63271688) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 6-chloro-4,5-dimethyl-N-(2-phenoxyethyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-4,5-dimethyl-N-(2-phenoxyethyl)pyridazin-3-amine
PubChem CID63271688
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name6-chloro-4,5-dimethyl-N-(2-phenoxyethyl)pyridazin-3-amine
SMILESCc1c(Cl)nnc(NCCOc2ccccc2)c1C
InChIInChI=1S/C14H16ClN3O/c1-10-11(2)14(18-17-13(10)15)16-8-9-19-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,18)
InChIKeyZDOQESNCJUZAKH-UHFFFAOYSA-N
XLogP3.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-ethyl-5-methyl-N-(2-phenoxyethyl)pyrimidin-4-amine
CID 79238156
6-chloro-4,5-dimethyl-N-(3-phenylpropyl)pyridazin-3-amine
CID 63271631
5,6-dimethyl-3-(2-phenoxyethylamino)pyridazine-4-carbonitrile
CID 34013796
6-hydrazinyl-2,5-dimethyl-N-(2-phenoxyethyl)pyrimidin-4-amine
CID 80900531
2-[[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]methyl]phenol
CID 106196541
6-chloro-N-[(3-methoxyphenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 63271766
3-methyl-N-(3-phenoxypropyl)pyridin-2-amine
CID 62379676
6-chloro-N-(3-phenoxypropyl)-5-propylpyrimidin-4-amine
CID 63729687
6-chloro-4,5-dimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine
CID 63271585
3-bromo-5-methyl-N-(2-phenoxyethyl)pyridin-2-amine
CID 105366850
3,5-dichloro-6-hydrazinyl-N-(2-phenoxyethyl)pyridin-2-amine
CID 102761875
5-methyl-4-N-(2-phenoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983631

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4,5-dimethyl-N-(2-phenoxyethyl)pyridazin-3-amine?
The IUPAC name of 6-chloro-4,5-dimethyl-N-(2-phenoxyethyl)pyridazin-3-amine (CID 63271688) is 6-chloro-4,5-dimethyl-N-(2-phenoxyethyl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-4,5-dimethyl-N-(2-phenoxyethyl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-4,5-dimethyl-N-(2-phenoxyethyl)pyridazin-3-amine is Cc1c(Cl)nnc(NCCOc2ccccc2)c1C.
What is the InChIKey of 6-chloro-4,5-dimethyl-N-(2-phenoxyethyl)pyridazin-3-amine?
The InChIKey is ZDOQESNCJUZAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-10-11(2)14(18-17-13(10)15)16-8-9-19-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,18).
What are the key properties of 6-chloro-4,5-dimethyl-N-(2-phenoxyethyl)pyridazin-3-amine?
6-chloro-4,5-dimethyl-N-(2-phenoxyethyl)pyridazin-3-amine has a molecular weight of 277.75 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4,5-dimethyl-N-(2-phenoxyethyl)pyridazin-3-amine is sourced from PubChem (CID 63271688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).