6-chloro-N-(3-ethylphenyl)-4,5-dimethylpyridazin-3-amine

C14H16ClN3 — CID 63549060

IUPAC6-chloro-N-(3-ethylphenyl)-4,5-dimethylpyridazin-3-amine
SMILESCCc1cccc(Nc2nnc(Cl)c(C)c2C)c1
InChIInChI=1S/C14H16ClN3/c1-4-11-6-5-7-12(8-11)16-14-10(3)9(2)13(15)17-18-14/h5-8H,4H2,1-3H3,(H,16,18)
InChIKeyRUHNHPJSNYPFRV-UHFFFAOYSA-N
MW261.76 g/mol
LogP4.05
Rot. Bonds3

About 6-chloro-N-(3-ethylphenyl)-4,5-dimethylpyridazin-3-amine

6-chloro-N-(3-ethylphenyl)-4,5-dimethylpyridazin-3-amine (PubChem CID 63549060) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 6-chloro-N-(3-ethylphenyl)-4,5-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(3-ethylphenyl)-4,5-dimethylpyridazin-3-amine
PubChem CID63549060
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name6-chloro-N-(3-ethylphenyl)-4,5-dimethylpyridazin-3-amine
SMILESCCc1cccc(Nc2nnc(Cl)c(C)c2C)c1
InChIInChI=1S/C14H16ClN3/c1-4-11-6-5-7-12(8-11)16-14-10(3)9(2)13(15)17-18-14/h5-8H,4H2,1-3H3,(H,16,18)
InChIKeyRUHNHPJSNYPFRV-UHFFFAOYSA-N
XLogP4.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[3-(methoxymethyl)phenyl]-4,5-dimethylpyridazin-3-amine
CID 55168145
6-chloro-N-(3-ethylphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80971019
3-(3-ethylanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 31535423
2-chloro-N-(3-ethylphenyl)-6-methylpyridin-3-amine
CID 139400879
6-chloro-2-N-(3-ethylphenyl)pyridine-2,3-diamine
CID 113316737
6-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 106900542
6-N,2-diethyl-4-N-(3-ethylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80981798
6-chloro-N-(3,5-difluorophenyl)-4,5-dimethylpyridazin-3-amine
CID 55169285
N-(4-bromophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine
CID 63271712
4-chloro-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine
CID 58910370
2-chloro-N-(3-ethylphenyl)-5-fluoropyrimidin-4-amine
CID 79080610
3-ethyl-N-(4-methylphenyl)aniline
CID 139833776

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-ethylphenyl)-4,5-dimethylpyridazin-3-amine?
The IUPAC name of 6-chloro-N-(3-ethylphenyl)-4,5-dimethylpyridazin-3-amine (CID 63549060) is 6-chloro-N-(3-ethylphenyl)-4,5-dimethylpyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-(3-ethylphenyl)-4,5-dimethylpyridazin-3-amine?
The canonical SMILES for 6-chloro-N-(3-ethylphenyl)-4,5-dimethylpyridazin-3-amine is CCc1cccc(Nc2nnc(Cl)c(C)c2C)c1.
What is the InChIKey of 6-chloro-N-(3-ethylphenyl)-4,5-dimethylpyridazin-3-amine?
The InChIKey is RUHNHPJSNYPFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-4-11-6-5-7-12(8-11)16-14-10(3)9(2)13(15)17-18-14/h5-8H,4H2,1-3H3,(H,16,18).
What are the key properties of 6-chloro-N-(3-ethylphenyl)-4,5-dimethylpyridazin-3-amine?
6-chloro-N-(3-ethylphenyl)-4,5-dimethylpyridazin-3-amine has a molecular weight of 261.76 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-ethylphenyl)-4,5-dimethylpyridazin-3-amine is sourced from PubChem (CID 63549060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).