6-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine

C12H12ClN3O — CID 19164206

IUPAC6-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine
SMILESCOc1ccc(CNc2ccc(Cl)nn2)cc1
InChIInChI=1S/C12H12ClN3O/c1-17-10-4-2-9(3-5-10)8-14-12-7-6-11(13)15-16-12/h2-7H,8H2,1H3,(H,14,16)
InChIKeyXTQZRFYMDFJRPT-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.75
Rot. Bonds4

About 6-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine

6-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine (PubChem CID 19164206) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 6-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine
PubChem CID19164206
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name6-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine
SMILESCOc1ccc(CNc2ccc(Cl)nn2)cc1
InChIInChI=1S/C12H12ClN3O/c1-17-10-4-2-9(3-5-10)8-14-12-7-6-11(13)15-16-12/h2-7H,8H2,1H3,(H,14,16)
InChIKeyXTQZRFYMDFJRPT-UHFFFAOYSA-N
XLogP2.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine?
The IUPAC name of 6-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine (CID 19164206) is 6-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine is COc1ccc(CNc2ccc(Cl)nn2)cc1.
What is the InChIKey of 6-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine?
The InChIKey is XTQZRFYMDFJRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-17-10-4-2-9(3-5-10)8-14-12-7-6-11(13)15-16-12/h2-7H,8H2,1H3,(H,14,16).
What are the key properties of 6-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine?
6-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine has a molecular weight of 249.70 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine is sourced from PubChem (CID 19164206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).