(3S)-5-(3,6-dimethoxypyridazin-4-yl)-3,4-dihydro-2H-chromen-3-amine

C15H17N3O3 — CID 25115598

IUPAC(3S)-5-(3,6-dimethoxypyridazin-4-yl)-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1cc(-c2cccc3c2C[C@H](N)CO3)c(OC)nn1
InChIInChI=1S/C15H17N3O3/c1-19-14-7-12(15(20-2)18-17-14)10-4-3-5-13-11(10)6-9(16)8-21-13/h3-5,7,9H,6,8,16H2,1-2H3/t9-/m0/s1
InChIKeyPOZPRYZIFBVAOP-VIFPVBQESA-N
MW287.32 g/mol
LogP1.42
Rot. Bonds3

About (3S)-5-(3,6-dimethoxypyridazin-4-yl)-3,4-dihydro-2H-chromen-3-amine

(3S)-5-(3,6-dimethoxypyridazin-4-yl)-3,4-dihydro-2H-chromen-3-amine (PubChem CID 25115598) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (3S)-5-(3,6-dimethoxypyridazin-4-yl)-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name(3S)-5-(3,6-dimethoxypyridazin-4-yl)-3,4-dihydro-2H-chromen-3-amine
PubChem CID25115598
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(3S)-5-(3,6-dimethoxypyridazin-4-yl)-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1cc(-c2cccc3c2C[C@H](N)CO3)c(OC)nn1
InChIInChI=1S/C15H17N3O3/c1-19-14-7-12(15(20-2)18-17-14)10-4-3-5-13-11(10)6-9(16)8-21-13/h3-5,7,9H,6,8,16H2,1-2H3/t9-/m0/s1
InChIKeyPOZPRYZIFBVAOP-VIFPVBQESA-N
XLogP1.42
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-(3,6-dimethoxypyridazin-4-yl)-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of (3S)-5-(3,6-dimethoxypyridazin-4-yl)-3,4-dihydro-2H-chromen-3-amine (CID 25115598) is (3S)-5-(3,6-dimethoxypyridazin-4-yl)-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for (3S)-5-(3,6-dimethoxypyridazin-4-yl)-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for (3S)-5-(3,6-dimethoxypyridazin-4-yl)-3,4-dihydro-2H-chromen-3-amine is COc1cc(-c2cccc3c2C[C@H](N)CO3)c(OC)nn1.
What is the InChIKey of (3S)-5-(3,6-dimethoxypyridazin-4-yl)-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is POZPRYZIFBVAOP-VIFPVBQESA-N. The full InChI is InChI=1S/C15H17N3O3/c1-19-14-7-12(15(20-2)18-17-14)10-4-3-5-13-11(10)6-9(16)8-21-13/h3-5,7,9H,6,8,16H2,1-2H3/t9-/m0/s1.
What are the key properties of (3S)-5-(3,6-dimethoxypyridazin-4-yl)-3,4-dihydro-2H-chromen-3-amine?
(3S)-5-(3,6-dimethoxypyridazin-4-yl)-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 287.32 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-(3,6-dimethoxypyridazin-4-yl)-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 25115598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).