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

C15H18ClN3 — CID 106900542

IUPAC6-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine
SMILESCCc1ccc(CNc2nnc(Cl)c(C)c2C)cc1
InChIInChI=1S/C15H18ClN3/c1-4-12-5-7-13(8-6-12)9-17-15-11(3)10(2)14(16)18-19-15/h5-8H,4,9H2,1-3H3,(H,17,19)
InChIKeyGPJMRUNRFLZAHL-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.92
Rot. Bonds4

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

6-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine (PubChem CID 106900542) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 6-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine
PubChem CID106900542
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name6-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine
SMILESCCc1ccc(CNc2nnc(Cl)c(C)c2C)cc1
InChIInChI=1S/C15H18ClN3/c1-4-12-5-7-13(8-6-12)9-17-15-11(3)10(2)14(16)18-19-15/h5-8H,4,9H2,1-3H3,(H,17,19)
InChIKeyGPJMRUNRFLZAHL-UHFFFAOYSA-N
XLogP3.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-6-chloro-4,5-dimethylpyridazin-3-amine
CID 63271969
6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 63271953
6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine
CID 106900577
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
6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethylpyridazin-3-amine
CID 114180765
6-chloro-N-[(2-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 63271586
6-chloro-N-(3-ethylphenyl)-4,5-dimethylpyridazin-3-amine
CID 63549060
6-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-4,5-dimethylpyridazin-3-amine
CID 106192887
6-chloro-4,5-dimethyl-N-(3-phenylpropyl)pyridazin-3-amine
CID 63271631
6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylpyridazin-3-amine
CID 106038485
3,5-dichloro-N-[(4-ethylphenyl)methyl]-6-hydrazinylpyridin-2-amine
CID 106901036

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine?
The IUPAC name of 6-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine (CID 106900542) is 6-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine is CCc1ccc(CNc2nnc(Cl)c(C)c2C)cc1.
What is the InChIKey of 6-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine?
The InChIKey is GPJMRUNRFLZAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-4-12-5-7-13(8-6-12)9-17-15-11(3)10(2)14(16)18-19-15/h5-8H,4,9H2,1-3H3,(H,17,19).
What are the key properties of 6-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine?
6-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine has a molecular weight of 275.78 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine is sourced from PubChem (CID 106900542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).