3-chloro-5-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]-6-methylpyridazin-4-amine

C14H15ClN4O — CID 134576892

IUPAC3-chloro-5-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]-6-methylpyridazin-4-amine
SMILESCOc1ccccc1/N=C(\C)c1c(C)nnc(Cl)c1N
InChIInChI=1S/C14H15ClN4O/c1-8(12-9(2)18-19-14(15)13(12)16)17-10-6-4-5-7-11(10)20-3/h4-7H,1-3H3,(H2,16,18)/b17-8+
InChIKeyDLPIFBXSZMZDHH-CAOOACKPSA-N
MW290.75 g/mol
LogP3.17
Rot. Bonds3

About 3-chloro-5-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]-6-methylpyridazin-4-amine

3-chloro-5-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]-6-methylpyridazin-4-amine (PubChem CID 134576892) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-chloro-5-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]-6-methylpyridazin-4-amine.

Molecular Properties

Compound Name3-chloro-5-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]-6-methylpyridazin-4-amine
PubChem CID134576892
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name3-chloro-5-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]-6-methylpyridazin-4-amine
SMILESCOc1ccccc1/N=C(\C)c1c(C)nnc(Cl)c1N
InChIInChI=1S/C14H15ClN4O/c1-8(12-9(2)18-19-14(15)13(12)16)17-10-6-4-5-7-11(10)20-3/h4-7H,1-3H3,(H2,16,18)/b17-8+
InChIKeyDLPIFBXSZMZDHH-CAOOACKPSA-N
XLogP3.17
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]-6-methylpyridazin-4-amine?
The IUPAC name of 3-chloro-5-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]-6-methylpyridazin-4-amine (CID 134576892) is 3-chloro-5-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]-6-methylpyridazin-4-amine.
What is the SMILES notation for 3-chloro-5-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]-6-methylpyridazin-4-amine?
The canonical SMILES for 3-chloro-5-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]-6-methylpyridazin-4-amine is COc1ccccc1/N=C(\C)c1c(C)nnc(Cl)c1N.
What is the InChIKey of 3-chloro-5-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]-6-methylpyridazin-4-amine?
The InChIKey is DLPIFBXSZMZDHH-CAOOACKPSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-8(12-9(2)18-19-14(15)13(12)16)17-10-6-4-5-7-11(10)20-3/h4-7H,1-3H3,(H2,16,18)/b17-8+.
What are the key properties of 3-chloro-5-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]-6-methylpyridazin-4-amine?
3-chloro-5-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]-6-methylpyridazin-4-amine has a molecular weight of 290.75 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[N-(2-methoxyphenyl)-C-methylcarbonimidoyl]-6-methylpyridazin-4-amine is sourced from PubChem (CID 134576892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).