N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridazin-3-amine

C16H19N3O2 — CID 72884847

IUPACN-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridazin-3-amine
SMILESCOc1cccc2c1OCC(CNc1ccc(C)nn1)C2
InChIInChI=1S/C16H19N3O2/c1-11-6-7-15(19-18-11)17-9-12-8-13-4-3-5-14(20-2)16(13)21-10-12/h3-7,12H,8-10H2,1-2H3,(H,17,19)
InChIKeyAXKKSUBKLHDDAH-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.46
Rot. Bonds4

About N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridazin-3-amine

N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridazin-3-amine (PubChem CID 72884847) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridazin-3-amine
PubChem CID72884847
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridazin-3-amine
SMILESCOc1cccc2c1OCC(CNc1ccc(C)nn1)C2
InChIInChI=1S/C16H19N3O2/c1-11-6-7-15(19-18-11)17-9-12-8-13-4-3-5-14(20-2)16(13)21-10-12/h3-7,12H,8-10H2,1-2H3,(H,17,19)
InChIKeyAXKKSUBKLHDDAH-UHFFFAOYSA-N
XLogP2.46
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-Dimethoxy-2-[6-(2-methoxy-phenyl)-pyridazin-3-yl]-1,2,3,4-tetrahydro-isoquinoline
CID 651832
Cyclohexyl-[6-(2-methoxy-phenyl)-pyridazin-3-yl]-amine
CID 654107
(2-Cyclohex-1-enyl-ethyl)-[6-(3,4-dimethoxy-phenyl)-pyridazin-3-yl]-amine
CID 655276
(6-Benzo[1,3]dioxol-5-yl-4-methyl-pyridazin-3-yl)-(2-piperidin-1-yl-ethyl)-amine; hydrochloride
CID 10593268
6-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;hydrochloride
CID 45262867
N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(2-methoxyphenyl)pyridazin-3-amine;hydrate;dihydrochloride
CID 49860473
(4-Methoxy-benzyl)-[6-(4-methoxy-phenyl)-pyridazin-3-yl]-amine
CID 654590
Cyclopentyl-[6-(2-methoxy-phenyl)-pyridazin-3-yl]-amine
CID 6411203
(4-Methoxy-benzyl)-[6-(2-methoxy-phenyl)-pyridazin-3-yl]-amine
CID 6411205
[6-(3,4-Dimethoxy-phenyl)-pyridazin-3-yl]-(2-morpholin-4-yl-ethyl)-amine
CID 24747011
US11702418, Example 5-3
CID 156527263
4-Morpholineethanamine, N-(6-(3-mehtoxyphenyl)-4-methyl-3-pyridazinyl)-, dihydrochloride
CID 6410837

Frequently Asked Questions

What is the IUPAC name of N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridazin-3-amine?
The IUPAC name of N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridazin-3-amine (CID 72884847) is N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridazin-3-amine.
What is the SMILES notation for N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridazin-3-amine?
The canonical SMILES for N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridazin-3-amine is COc1cccc2c1OCC(CNc1ccc(C)nn1)C2.
What is the InChIKey of N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridazin-3-amine?
The InChIKey is AXKKSUBKLHDDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-6-7-15(19-18-11)17-9-12-8-13-4-3-5-14(20-2)16(13)21-10-12/h3-7,12H,8-10H2,1-2H3,(H,17,19).
What are the key properties of N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridazin-3-amine?
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridazin-3-amine has a molecular weight of 285.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridazin-3-amine is sourced from PubChem (CID 72884847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).