N-benzyl-6-chloro-4,5-dimethylpyridazin-3-amine

C13H14ClN3 — CID 63271969

IUPACN-benzyl-6-chloro-4,5-dimethylpyridazin-3-amine
SMILESCc1c(Cl)nnc(NCc2ccccc2)c1C
InChIInChI=1S/C13H14ClN3/c1-9-10(2)13(17-16-12(9)14)15-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,15,17)
InChIKeyCVHGGBCWBQFFCZ-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.36
Rot. Bonds3

About N-benzyl-6-chloro-4,5-dimethylpyridazin-3-amine

N-benzyl-6-chloro-4,5-dimethylpyridazin-3-amine (PubChem CID 63271969) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is N-benzyl-6-chloro-4,5-dimethylpyridazin-3-amine.

Molecular Properties

Compound NameN-benzyl-6-chloro-4,5-dimethylpyridazin-3-amine
PubChem CID63271969
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC NameN-benzyl-6-chloro-4,5-dimethylpyridazin-3-amine
SMILESCc1c(Cl)nnc(NCc2ccccc2)c1C
InChIInChI=1S/C13H14ClN3/c1-9-10(2)13(17-16-12(9)14)15-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,15,17)
InChIKeyCVHGGBCWBQFFCZ-UHFFFAOYSA-N
XLogP3.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 106900542
6-chloro-4,5-dimethyl-N-(3-phenylpropyl)pyridazin-3-amine
CID 63271631
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-[(2-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 63271586
6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 63271953
6-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-4,5-dimethylpyridazin-3-amine
CID 106192887
6-chloro-4,5-dimethyl-N-(2-phenoxyethyl)pyridazin-3-amine
CID 63271688
6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylpyridazin-3-amine
CID 106038485
6-chloro-N-(3-ethylphenyl)-4,5-dimethylpyridazin-3-amine
CID 63549060
4-chloro-N-(pyridin-4-ylmethyl)phthalazin-1-amine
CID 60723090
6-chloro-4,5-dimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine
CID 63271585

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-chloro-4,5-dimethylpyridazin-3-amine?
The IUPAC name of N-benzyl-6-chloro-4,5-dimethylpyridazin-3-amine (CID 63271969) is N-benzyl-6-chloro-4,5-dimethylpyridazin-3-amine.
What is the SMILES notation for N-benzyl-6-chloro-4,5-dimethylpyridazin-3-amine?
The canonical SMILES for N-benzyl-6-chloro-4,5-dimethylpyridazin-3-amine is Cc1c(Cl)nnc(NCc2ccccc2)c1C.
What is the InChIKey of N-benzyl-6-chloro-4,5-dimethylpyridazin-3-amine?
The InChIKey is CVHGGBCWBQFFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-9-10(2)13(17-16-12(9)14)15-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,15,17).
What are the key properties of N-benzyl-6-chloro-4,5-dimethylpyridazin-3-amine?
N-benzyl-6-chloro-4,5-dimethylpyridazin-3-amine has a molecular weight of 247.73 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-chloro-4,5-dimethylpyridazin-3-amine is sourced from PubChem (CID 63271969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).