N-cyclopropyl-6-(3,4,5-trimethoxyphenyl)pyridazin-3-amine

C16H19N3O3 — CID 74249111

IUPACN-cyclopropyl-6-(3,4,5-trimethoxyphenyl)pyridazin-3-amine
SMILESCOc1cc(-c2ccc(NC3CC3)nn2)cc(OC)c1OC
InChIInChI=1S/C16H19N3O3/c1-20-13-8-10(9-14(21-2)16(13)22-3)12-6-7-15(19-18-12)17-11-4-5-11/h6-9,11H,4-5H2,1-3H3,(H,17,19)
InChIKeyILJUZVORAJXQOR-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.74
Rot. Bonds6

About N-cyclopropyl-6-(3,4,5-trimethoxyphenyl)pyridazin-3-amine

N-cyclopropyl-6-(3,4,5-trimethoxyphenyl)pyridazin-3-amine (PubChem CID 74249111) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-cyclopropyl-6-(3,4,5-trimethoxyphenyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-(3,4,5-trimethoxyphenyl)pyridazin-3-amine
PubChem CID74249111
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-cyclopropyl-6-(3,4,5-trimethoxyphenyl)pyridazin-3-amine
SMILESCOc1cc(-c2ccc(NC3CC3)nn2)cc(OC)c1OC
InChIInChI=1S/C16H19N3O3/c1-20-13-8-10(9-14(21-2)16(13)22-3)12-6-7-15(19-18-12)17-11-4-5-11/h6-9,11H,4-5H2,1-3H3,(H,17,19)
InChIKeyILJUZVORAJXQOR-UHFFFAOYSA-N
XLogP2.74
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,4-dimethoxyphenyl)-N-methylpyridazin-3-amine
CID 62203035
N-cyclopentyl-6-(6-methoxy-1,3-benzodioxol-5-yl)pyridazin-3-amine
CID 162633091
5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine
CID 90670581
3-ethylsulfanyl-6-(3,4,5-trimethoxyphenyl)pyridazine
CID 7672970
3,6-bis(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridazine
CID 18874648
3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,2,4-triazine
CID 67422117
4-[[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]cyclohexan-1-ol
CID 116972281
methyl 6-(cyclopropylamino)pyridazine-3-carboxylate
CID 60792451
6-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109109847
N-cyclopentyl-6-[4-[1-(dimethylamino)ethyl]phenyl]pyridazin-3-amine
CID 74248315
N-(5-chloro-2-methoxyphenyl)-6-(cyclopropylamino)pyridazine-3-carboxamide
CID 109109916
methyl 2-[4-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]amino]cyclohexyl]acetate
CID 19419751

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-(3,4,5-trimethoxyphenyl)pyridazin-3-amine?
The IUPAC name of N-cyclopropyl-6-(3,4,5-trimethoxyphenyl)pyridazin-3-amine (CID 74249111) is N-cyclopropyl-6-(3,4,5-trimethoxyphenyl)pyridazin-3-amine.
What is the SMILES notation for N-cyclopropyl-6-(3,4,5-trimethoxyphenyl)pyridazin-3-amine?
The canonical SMILES for N-cyclopropyl-6-(3,4,5-trimethoxyphenyl)pyridazin-3-amine is COc1cc(-c2ccc(NC3CC3)nn2)cc(OC)c1OC.
What is the InChIKey of N-cyclopropyl-6-(3,4,5-trimethoxyphenyl)pyridazin-3-amine?
The InChIKey is ILJUZVORAJXQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-20-13-8-10(9-14(21-2)16(13)22-3)12-6-7-15(19-18-12)17-11-4-5-11/h6-9,11H,4-5H2,1-3H3,(H,17,19).
What are the key properties of N-cyclopropyl-6-(3,4,5-trimethoxyphenyl)pyridazin-3-amine?
N-cyclopropyl-6-(3,4,5-trimethoxyphenyl)pyridazin-3-amine has a molecular weight of 301.35 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-(3,4,5-trimethoxyphenyl)pyridazin-3-amine is sourced from PubChem (CID 74249111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).