5-methyl-6-(2,4,5-trimethoxyphenyl)-4,5-dihydropyridazin-3-amine

C14H19N3O3 — CID 64692179

IUPAC5-methyl-6-(2,4,5-trimethoxyphenyl)-4,5-dihydropyridazin-3-amine
SMILESCOc1cc(OC)c(C2=NN=C(N)CC2C)cc1OC
InChIInChI=1S/C14H19N3O3/c1-8-5-13(15)16-17-14(8)9-6-11(19-3)12(20-4)7-10(9)18-2/h6-8H,5H2,1-4H3,(H2,15,16)
InChIKeyIYQMQDJLHLXVQF-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.81
Rot. Bonds4

About 5-methyl-6-(2,4,5-trimethoxyphenyl)-4,5-dihydropyridazin-3-amine

5-methyl-6-(2,4,5-trimethoxyphenyl)-4,5-dihydropyridazin-3-amine (PubChem CID 64692179) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-methyl-6-(2,4,5-trimethoxyphenyl)-4,5-dihydropyridazin-3-amine.

Molecular Properties

Compound Name5-methyl-6-(2,4,5-trimethoxyphenyl)-4,5-dihydropyridazin-3-amine
PubChem CID64692179
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name5-methyl-6-(2,4,5-trimethoxyphenyl)-4,5-dihydropyridazin-3-amine
SMILESCOc1cc(OC)c(C2=NN=C(N)CC2C)cc1OC
InChIInChI=1S/C14H19N3O3/c1-8-5-13(15)16-17-14(8)9-6-11(19-3)12(20-4)7-10(9)18-2/h6-8H,5H2,1-4H3,(H2,15,16)
InChIKeyIYQMQDJLHLXVQF-UHFFFAOYSA-N
XLogP1.81
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(2,4,5-trimethoxyphenyl)-4,5-dihydropyridazin-3-amine?
The IUPAC name of 5-methyl-6-(2,4,5-trimethoxyphenyl)-4,5-dihydropyridazin-3-amine (CID 64692179) is 5-methyl-6-(2,4,5-trimethoxyphenyl)-4,5-dihydropyridazin-3-amine.
What is the SMILES notation for 5-methyl-6-(2,4,5-trimethoxyphenyl)-4,5-dihydropyridazin-3-amine?
The canonical SMILES for 5-methyl-6-(2,4,5-trimethoxyphenyl)-4,5-dihydropyridazin-3-amine is COc1cc(OC)c(C2=NN=C(N)CC2C)cc1OC.
What is the InChIKey of 5-methyl-6-(2,4,5-trimethoxyphenyl)-4,5-dihydropyridazin-3-amine?
The InChIKey is IYQMQDJLHLXVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-8-5-13(15)16-17-14(8)9-6-11(19-3)12(20-4)7-10(9)18-2/h6-8H,5H2,1-4H3,(H2,15,16).
What are the key properties of 5-methyl-6-(2,4,5-trimethoxyphenyl)-4,5-dihydropyridazin-3-amine?
5-methyl-6-(2,4,5-trimethoxyphenyl)-4,5-dihydropyridazin-3-amine has a molecular weight of 277.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(2,4,5-trimethoxyphenyl)-4,5-dihydropyridazin-3-amine is sourced from PubChem (CID 64692179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).