6-chloro-N-[3-(methoxymethyl)phenyl]-4,5-dimethylpyridazin-3-amine

C14H16ClN3O — CID 55168145

IUPAC6-chloro-N-[3-(methoxymethyl)phenyl]-4,5-dimethylpyridazin-3-amine
SMILESCOCc1cccc(Nc2nnc(Cl)c(C)c2C)c1
InChIInChI=1S/C14H16ClN3O/c1-9-10(2)14(18-17-13(9)15)16-12-6-4-5-11(7-12)8-19-3/h4-7H,8H2,1-3H3,(H,16,18)
InChIKeyBSXVQPOUKZGDSI-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.64
Rot. Bonds4

About 6-chloro-N-[3-(methoxymethyl)phenyl]-4,5-dimethylpyridazin-3-amine

6-chloro-N-[3-(methoxymethyl)phenyl]-4,5-dimethylpyridazin-3-amine (PubChem CID 55168145) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 6-chloro-N-[3-(methoxymethyl)phenyl]-4,5-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[3-(methoxymethyl)phenyl]-4,5-dimethylpyridazin-3-amine
PubChem CID55168145
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name6-chloro-N-[3-(methoxymethyl)phenyl]-4,5-dimethylpyridazin-3-amine
SMILESCOCc1cccc(Nc2nnc(Cl)c(C)c2C)c1
InChIInChI=1S/C14H16ClN3O/c1-9-10(2)14(18-17-13(9)15)16-12-6-4-5-11(7-12)8-19-3/h4-7H,8H2,1-3H3,(H,16,18)
InChIKeyBSXVQPOUKZGDSI-UHFFFAOYSA-N
XLogP3.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(3-ethylphenyl)-4,5-dimethylpyridazin-3-amine
CID 63549060
6-chloro-N-[(3-methoxyphenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 63271766
3-(methoxymethyl)-N-methylaniline
CID 23080905
2-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazole-2,5-diamine
CID 103436854
6-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-4,5-dimethylpyridazin-3-amine
CID 106192887
5-bromo-6-hydrazinyl-N-[3-(methoxymethyl)phenyl]pyrimidin-4-amine
CID 114073042
N-[3-(methoxymethyl)phenyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133351038
6-hydrazinyl-N-[3-(methoxymethyl)phenyl]-5-propan-2-ylpyrimidin-4-amine
CID 80901261
5-bromo-4-N-[3-(methoxymethyl)phenyl]-2-N-methylpyrimidine-2,4-diamine
CID 80801794
5-fluoro-4-N-[3-(methoxymethyl)phenyl]pyrimidine-2,4-diamine
CID 80802102
2,3,5,6-tetrafluoro-N-[3-(methoxymethyl)phenyl]pyridin-4-amine
CID 79904677
4-N-[3-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112726133

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(methoxymethyl)phenyl]-4,5-dimethylpyridazin-3-amine?
The IUPAC name of 6-chloro-N-[3-(methoxymethyl)phenyl]-4,5-dimethylpyridazin-3-amine (CID 55168145) is 6-chloro-N-[3-(methoxymethyl)phenyl]-4,5-dimethylpyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[3-(methoxymethyl)phenyl]-4,5-dimethylpyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[3-(methoxymethyl)phenyl]-4,5-dimethylpyridazin-3-amine is COCc1cccc(Nc2nnc(Cl)c(C)c2C)c1.
What is the InChIKey of 6-chloro-N-[3-(methoxymethyl)phenyl]-4,5-dimethylpyridazin-3-amine?
The InChIKey is BSXVQPOUKZGDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-9-10(2)14(18-17-13(9)15)16-12-6-4-5-11(7-12)8-19-3/h4-7H,8H2,1-3H3,(H,16,18).
What are the key properties of 6-chloro-N-[3-(methoxymethyl)phenyl]-4,5-dimethylpyridazin-3-amine?
6-chloro-N-[3-(methoxymethyl)phenyl]-4,5-dimethylpyridazin-3-amine has a molecular weight of 277.76 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(methoxymethyl)phenyl]-4,5-dimethylpyridazin-3-amine is sourced from PubChem (CID 55168145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).