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

C13H17N3O3 — CID 64689906

IUPAC6-(3,4,5-trimethoxyphenyl)-4,5-dihydropyridazin-3-amine
SMILESCOc1cc(C2=NN=C(N)CC2)cc(OC)c1OC
InChIInChI=1S/C13H17N3O3/c1-17-10-6-8(7-11(18-2)13(10)19-3)9-4-5-12(14)16-15-9/h6-7H,4-5H2,1-3H3,(H2,14,16)
InChIKeyPZLAWRJEIAZKHX-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.57
Rot. Bonds4

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

6-(3,4,5-trimethoxyphenyl)-4,5-dihydropyridazin-3-amine (PubChem CID 64689906) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-(3,4,5-trimethoxyphenyl)-4,5-dihydropyridazin-3-amine.

Molecular Properties

Compound Name6-(3,4,5-trimethoxyphenyl)-4,5-dihydropyridazin-3-amine
PubChem CID64689906
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name6-(3,4,5-trimethoxyphenyl)-4,5-dihydropyridazin-3-amine
SMILESCOc1cc(C2=NN=C(N)CC2)cc(OC)c1OC
InChIInChI=1S/C13H17N3O3/c1-17-10-6-8(7-11(18-2)13(10)19-3)9-4-5-12(14)16-15-9/h6-7H,4-5H2,1-3H3,(H2,14,16)
InChIKeyPZLAWRJEIAZKHX-UHFFFAOYSA-N
XLogP1.57
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4,5-trimethoxyphenyl)-4,5-dihydropyridazin-3-amine?
The IUPAC name of 6-(3,4,5-trimethoxyphenyl)-4,5-dihydropyridazin-3-amine (CID 64689906) is 6-(3,4,5-trimethoxyphenyl)-4,5-dihydropyridazin-3-amine.
What is the SMILES notation for 6-(3,4,5-trimethoxyphenyl)-4,5-dihydropyridazin-3-amine?
The canonical SMILES for 6-(3,4,5-trimethoxyphenyl)-4,5-dihydropyridazin-3-amine is COc1cc(C2=NN=C(N)CC2)cc(OC)c1OC.
What is the InChIKey of 6-(3,4,5-trimethoxyphenyl)-4,5-dihydropyridazin-3-amine?
The InChIKey is PZLAWRJEIAZKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-17-10-6-8(7-11(18-2)13(10)19-3)9-4-5-12(14)16-15-9/h6-7H,4-5H2,1-3H3,(H2,14,16).
What are the key properties of 6-(3,4,5-trimethoxyphenyl)-4,5-dihydropyridazin-3-amine?
6-(3,4,5-trimethoxyphenyl)-4,5-dihydropyridazin-3-amine has a molecular weight of 263.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4,5-trimethoxyphenyl)-4,5-dihydropyridazin-3-amine is sourced from PubChem (CID 64689906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).