6-chloro-N-(4-methoxy-2-methylphenyl)-4,5-dimethylpyridazin-3-amine

C14H16ClN3O — CID 63272259

IUPAC6-chloro-N-(4-methoxy-2-methylphenyl)-4,5-dimethylpyridazin-3-amine
SMILESCOc1ccc(Nc2nnc(Cl)c(C)c2C)c(C)c1
InChIInChI=1S/C14H16ClN3O/c1-8-7-11(19-4)5-6-12(8)16-14-10(3)9(2)13(15)17-18-14/h5-7H,1-4H3,(H,16,18)
InChIKeyDVWNVYDGYVZJJH-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.81
Rot. Bonds3

About 6-chloro-N-(4-methoxy-2-methylphenyl)-4,5-dimethylpyridazin-3-amine

6-chloro-N-(4-methoxy-2-methylphenyl)-4,5-dimethylpyridazin-3-amine (PubChem CID 63272259) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 6-chloro-N-(4-methoxy-2-methylphenyl)-4,5-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(4-methoxy-2-methylphenyl)-4,5-dimethylpyridazin-3-amine
PubChem CID63272259
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name6-chloro-N-(4-methoxy-2-methylphenyl)-4,5-dimethylpyridazin-3-amine
SMILESCOc1ccc(Nc2nnc(Cl)c(C)c2C)c(C)c1
InChIInChI=1S/C14H16ClN3O/c1-8-7-11(19-4)5-6-12(8)16-14-10(3)9(2)13(15)17-18-14/h5-7H,1-4H3,(H,16,18)
InChIKeyDVWNVYDGYVZJJH-UHFFFAOYSA-N
XLogP3.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(4-chloro-2-methylphenyl)-4,5-dimethylpyridazin-3-amine
CID 114256276
6-chloro-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,5-diamine
CID 63024300
N-(4-chloro-2-methylphenyl)-4-methoxy-2-methylaniline
CID 139611066
6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-4,5-dimethylpyridazin-3-amine
CID 63271923
4,5-dichloro-N-(4-methoxy-2-methylphenyl)-2-methylaniline
CID 139788451
4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80825346
2-chloro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine
CID 62867858
5-chloro-2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 80918932
6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80825171
6-chloro-N-[(3-methoxyphenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 63271766
6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80804662
6-methoxy-2-N-(4-methoxy-2-methylphenyl)pyridine-2,3-diamine
CID 115320740

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-methoxy-2-methylphenyl)-4,5-dimethylpyridazin-3-amine?
The IUPAC name of 6-chloro-N-(4-methoxy-2-methylphenyl)-4,5-dimethylpyridazin-3-amine (CID 63272259) is 6-chloro-N-(4-methoxy-2-methylphenyl)-4,5-dimethylpyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-(4-methoxy-2-methylphenyl)-4,5-dimethylpyridazin-3-amine?
The canonical SMILES for 6-chloro-N-(4-methoxy-2-methylphenyl)-4,5-dimethylpyridazin-3-amine is COc1ccc(Nc2nnc(Cl)c(C)c2C)c(C)c1.
What is the InChIKey of 6-chloro-N-(4-methoxy-2-methylphenyl)-4,5-dimethylpyridazin-3-amine?
The InChIKey is DVWNVYDGYVZJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-8-7-11(19-4)5-6-12(8)16-14-10(3)9(2)13(15)17-18-14/h5-7H,1-4H3,(H,16,18).
What are the key properties of 6-chloro-N-(4-methoxy-2-methylphenyl)-4,5-dimethylpyridazin-3-amine?
6-chloro-N-(4-methoxy-2-methylphenyl)-4,5-dimethylpyridazin-3-amine has a molecular weight of 277.76 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-methoxy-2-methylphenyl)-4,5-dimethylpyridazin-3-amine is sourced from PubChem (CID 63272259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).