5-chloro-8-[(3-chloro-4-methoxyphenyl)methyl]pyrazino[2,3-d]pyridazin-2-amine

C14H11Cl2N5O — CID 152665733

IUPAC5-chloro-8-[(3-chloro-4-methoxyphenyl)methyl]pyrazino[2,3-d]pyridazin-2-amine
SMILESCOc1ccc(Cc2nnc(Cl)c3ncc(N)nc23)cc1Cl
InChIInChI=1S/C14H11Cl2N5O/c1-22-10-3-2-7(4-8(10)15)5-9-12-13(14(16)21-20-9)18-6-11(17)19-12/h2-4,6H,5H2,1H3,(H2,17,19)
InChIKeyZKLUNZOHSZZBCK-UHFFFAOYSA-N
MW336.18 g/mol
LogP2.91
Rot. Bonds3

About 5-chloro-8-[(3-chloro-4-methoxyphenyl)methyl]pyrazino[2,3-d]pyridazin-2-amine

5-chloro-8-[(3-chloro-4-methoxyphenyl)methyl]pyrazino[2,3-d]pyridazin-2-amine (PubChem CID 152665733) has the molecular formula C14H11Cl2N5O and a molecular weight of 336.18 g/mol. Its IUPAC name is 5-chloro-8-[(3-chloro-4-methoxyphenyl)methyl]pyrazino[2,3-d]pyridazin-2-amine.

Molecular Properties

Compound Name5-chloro-8-[(3-chloro-4-methoxyphenyl)methyl]pyrazino[2,3-d]pyridazin-2-amine
PubChem CID152665733
Molecular FormulaC14H11Cl2N5O
Molecular Weight336.18 g/mol
Exact Mass335.03
IUPAC Name5-chloro-8-[(3-chloro-4-methoxyphenyl)methyl]pyrazino[2,3-d]pyridazin-2-amine
SMILESCOc1ccc(Cc2nnc(Cl)c3ncc(N)nc23)cc1Cl
InChIInChI=1S/C14H11Cl2N5O/c1-22-10-3-2-7(4-8(10)15)5-9-12-13(14(16)21-20-9)18-6-11(17)19-12/h2-4,6H,5H2,1H3,(H2,17,19)
InChIKeyZKLUNZOHSZZBCK-UHFFFAOYSA-N
XLogP2.91
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)methoxy]aniline
CID 82133516
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2-chloro-4-(3-chloropropyl)-1-methoxybenzene
CID 83800842
2-[(3-chloro-4-methoxyphenyl)methyl]-1,3-thiazole-5-carbaldehyde
CID 82304936
4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-5-iodopyrimidine
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2-[(3-chloro-4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 100523309
2-[(3,4-dimethoxyphenyl)methyl]-1,3-oxazol-5-amine
CID 82290567
2-amino-3-(3-chloro-4-methoxyphenyl)-N-methylpropanamide
CID 116850489
8-methoxy-5-(2-methylphenyl)quinoxalin-2-amine
CID 155269576
4-(2-aminoethylamino)-2-[(3-chloro-4-methoxyphenyl)methylsulfanyl]-8H-pteridin-7-one
CID 22505993
3-[(3-chloro-4-methoxyphenyl)methoxy]aniline
CID 82354171
4,5-bis[(3,4-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine
CID 90681304

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-[(3-chloro-4-methoxyphenyl)methyl]pyrazino[2,3-d]pyridazin-2-amine?
The IUPAC name of 5-chloro-8-[(3-chloro-4-methoxyphenyl)methyl]pyrazino[2,3-d]pyridazin-2-amine (CID 152665733) is 5-chloro-8-[(3-chloro-4-methoxyphenyl)methyl]pyrazino[2,3-d]pyridazin-2-amine.
What is the SMILES notation for 5-chloro-8-[(3-chloro-4-methoxyphenyl)methyl]pyrazino[2,3-d]pyridazin-2-amine?
The canonical SMILES for 5-chloro-8-[(3-chloro-4-methoxyphenyl)methyl]pyrazino[2,3-d]pyridazin-2-amine is COc1ccc(Cc2nnc(Cl)c3ncc(N)nc23)cc1Cl.
What is the InChIKey of 5-chloro-8-[(3-chloro-4-methoxyphenyl)methyl]pyrazino[2,3-d]pyridazin-2-amine?
The InChIKey is ZKLUNZOHSZZBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5O/c1-22-10-3-2-7(4-8(10)15)5-9-12-13(14(16)21-20-9)18-6-11(17)19-12/h2-4,6H,5H2,1H3,(H2,17,19).
What are the key properties of 5-chloro-8-[(3-chloro-4-methoxyphenyl)methyl]pyrazino[2,3-d]pyridazin-2-amine?
5-chloro-8-[(3-chloro-4-methoxyphenyl)methyl]pyrazino[2,3-d]pyridazin-2-amine has a molecular weight of 336.18 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-[(3-chloro-4-methoxyphenyl)methyl]pyrazino[2,3-d]pyridazin-2-amine is sourced from PubChem (CID 152665733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).