6-chloro-N-[(2-methoxyphenyl)methyl]-N,4,5-trimethylpyridazin-3-amine

C15H18ClN3O — CID 63271464

IUPAC6-chloro-N-[(2-methoxyphenyl)methyl]-N,4,5-trimethylpyridazin-3-amine
SMILESCOc1ccccc1CN(C)c1nnc(Cl)c(C)c1C
InChIInChI=1S/C15H18ClN3O/c1-10-11(2)15(18-17-14(10)16)19(3)9-12-7-5-6-8-13(12)20-4/h5-8H,9H2,1-4H3
InChIKeyXTWJTUBLTSYUAW-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.39
Rot. Bonds4

About 6-chloro-N-[(2-methoxyphenyl)methyl]-N,4,5-trimethylpyridazin-3-amine

6-chloro-N-[(2-methoxyphenyl)methyl]-N,4,5-trimethylpyridazin-3-amine (PubChem CID 63271464) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 6-chloro-N-[(2-methoxyphenyl)methyl]-N,4,5-trimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(2-methoxyphenyl)methyl]-N,4,5-trimethylpyridazin-3-amine
PubChem CID63271464
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name6-chloro-N-[(2-methoxyphenyl)methyl]-N,4,5-trimethylpyridazin-3-amine
SMILESCOc1ccccc1CN(C)c1nnc(Cl)c(C)c1C
InChIInChI=1S/C15H18ClN3O/c1-10-11(2)15(18-17-14(10)16)19(3)9-12-7-5-6-8-13(12)20-4/h5-8H,9H2,1-4H3
InChIKeyXTWJTUBLTSYUAW-UHFFFAOYSA-N
XLogP3.39
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(2-methoxyphenyl)-N,4,5-trimethylpyridazin-3-amine
CID 55167573
6-chloro-N-[(2-methoxyphenyl)methyl]-N-methyl-5-propylpyrimidin-4-amine
CID 63728101
6-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazin-2-amine
CID 54940770
3-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 61418333
N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 171324166
N-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 171327101
[5-chloro-6-[(2-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol
CID 61417850
3-[(2-methoxyphenyl)methyl-methylamino]pyrazine-2-carbothioamide
CID 62684959
6-chloro-N,4,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]pyridazin-3-amine
CID 63271589
6-chloro-N-[(3-fluorophenyl)methyl]-N,4,5-trimethylpyridazin-3-amine
CID 63271583
N-[(2-methoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 56584629
1-(2-chloroprop-2-enyl)-2-methoxybenzene
CID 24721826

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2-methoxyphenyl)methyl]-N,4,5-trimethylpyridazin-3-amine?
The IUPAC name of 6-chloro-N-[(2-methoxyphenyl)methyl]-N,4,5-trimethylpyridazin-3-amine (CID 63271464) is 6-chloro-N-[(2-methoxyphenyl)methyl]-N,4,5-trimethylpyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[(2-methoxyphenyl)methyl]-N,4,5-trimethylpyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[(2-methoxyphenyl)methyl]-N,4,5-trimethylpyridazin-3-amine is COc1ccccc1CN(C)c1nnc(Cl)c(C)c1C.
What is the InChIKey of 6-chloro-N-[(2-methoxyphenyl)methyl]-N,4,5-trimethylpyridazin-3-amine?
The InChIKey is XTWJTUBLTSYUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-10-11(2)15(18-17-14(10)16)19(3)9-12-7-5-6-8-13(12)20-4/h5-8H,9H2,1-4H3.
What are the key properties of 6-chloro-N-[(2-methoxyphenyl)methyl]-N,4,5-trimethylpyridazin-3-amine?
6-chloro-N-[(2-methoxyphenyl)methyl]-N,4,5-trimethylpyridazin-3-amine has a molecular weight of 291.78 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2-methoxyphenyl)methyl]-N,4,5-trimethylpyridazin-3-amine is sourced from PubChem (CID 63271464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).