5-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-amine

C22H23N3O2 — CID 10473758

IUPAC5-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-amine
SMILESCC(C)(C)c1ccc(-c2cnnc(Nc3ccc4c(c3)OCCO4)c2)cc1
InChIInChI=1S/C22H23N3O2/c1-22(2,3)17-6-4-15(5-7-17)16-12-21(25-23-14-16)24-18-8-9-19-20(13-18)27-11-10-26-19/h4-9,12-14H,10-11H2,1-3H3,(H,24,25)
InChIKeyBFCQRTUYCVYKHS-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.96
Rot. Bonds3

About 5-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-amine

5-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-amine (PubChem CID 10473758) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-amine.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-amine
PubChem CID10473758
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name5-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-amine
SMILESCC(C)(C)c1ccc(-c2cnnc(Nc3ccc4c(c3)OCCO4)c2)cc1
InChIInChI=1S/C22H23N3O2/c1-22(2,3)17-6-4-15(5-7-17)16-12-21(25-23-14-16)24-18-8-9-19-20(13-18)27-11-10-26-19/h4-9,12-14H,10-11H2,1-3H3,(H,24,25)
InChIKeyBFCQRTUYCVYKHS-UHFFFAOYSA-N
XLogP4.96
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine
CID 16749540
6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-4-amine
CID 16749325
6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazin-2-amine
CID 16749543
(3,4-Dimethoxy-phenyl)-[6-(2-fluoro-phenyl)-pyridazin-3-yl]-amine
CID 6411226
2-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-amine
CID 16749324
6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine
CID 16749541
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-phenylpyridin-2-amine
CID 172434150
N-[4-(2-chloro-2-methylpropoxy)phenyl]-5-(2-methoxyphenyl)pyridazin-3-amine
CID 132388077
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-(4-fluorophenyl)acetamide
CID 113050309
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113050322
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-2-(3-fluorophenyl)acetamide
CID 113050323
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3,4,5-trimethoxyphenyl)pyridazin-3-amine
CID 6411219

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-amine?
The IUPAC name of 5-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-amine (CID 10473758) is 5-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-amine.
What is the SMILES notation for 5-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-amine?
The canonical SMILES for 5-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-amine is CC(C)(C)c1ccc(-c2cnnc(Nc3ccc4c(c3)OCCO4)c2)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-amine?
The InChIKey is BFCQRTUYCVYKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-22(2,3)17-6-4-15(5-7-17)16-12-21(25-23-14-16)24-18-8-9-19-20(13-18)27-11-10-26-19/h4-9,12-14H,10-11H2,1-3H3,(H,24,25).
What are the key properties of 5-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-amine?
5-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-amine has a molecular weight of 361.45 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-amine is sourced from PubChem (CID 10473758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).