N,N-dimethyl-7-[2-[6-(6-methylpyridazin-3-yl)pyridazin-3-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine

C19H19N5O2S — CID 142701757

IUPACN,N-dimethyl-7-[2-[6-(6-methylpyridazin-3-yl)pyridazin-3-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine
SMILESCc1ccc(-c2ccc(C=Cc3sc(N(C)C)c4c3OCCO4)nn2)nn1
InChIInChI=1S/C19H19N5O2S/c1-12-4-7-14(22-20-12)15-8-5-13(21-23-15)6-9-16-17-18(26-11-10-25-17)19(27-16)24(2)3/h4-9H,10-11H2,1-3H3
InChIKeyUINDIEHAIXRUHE-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.31
Rot. Bonds4

About N,N-dimethyl-7-[2-[6-(6-methylpyridazin-3-yl)pyridazin-3-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine

N,N-dimethyl-7-[2-[6-(6-methylpyridazin-3-yl)pyridazin-3-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine (PubChem CID 142701757) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N,N-dimethyl-7-[2-[6-(6-methylpyridazin-3-yl)pyridazin-3-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-7-[2-[6-(6-methylpyridazin-3-yl)pyridazin-3-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine
PubChem CID142701757
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC NameN,N-dimethyl-7-[2-[6-(6-methylpyridazin-3-yl)pyridazin-3-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine
SMILESCc1ccc(-c2ccc(C=Cc3sc(N(C)C)c4c3OCCO4)nn2)nn1
InChIInChI=1S/C19H19N5O2S/c1-12-4-7-14(22-20-12)15-8-5-13(21-23-15)6-9-16-17-18(26-11-10-25-17)19(27-16)24(2)3/h4-9H,10-11H2,1-3H3
InChIKeyUINDIEHAIXRUHE-UHFFFAOYSA-N
XLogP3.31
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N,N-dimethyl-7-[2-[6-(6-methylpyridazin-3-yl)pyridazin-3-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine with MolForge

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Related Compounds

2,5-bis[(E)-2-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)ethenyl]pyridine
CID 102265685
3-methyl-6-[6-[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]pyridazin-3-yl]pyridazine
CID 101486048
7-tert-butyl-N,N-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine
CID 135160215
5-[(E)-2-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethenyl]-7-[(1E,3E,5E)-6-[5-[(E)-2-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]hexa-1,3,5-trienyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 122223037
4-[(E)-2-[5-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline
CID 101398325
2-[3-(dicyanomethylidene)-2-[[7-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylidene]inden-1-ylidene]propanedinitrile
CID 11027931
7-[2-[4-(diethylamino)phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbaldehyde
CID 146625397
2-[(2Z)-2-[[7-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile
CID 11016465
2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylthiophene
CID 161222275
4-[(E)-2-[5-[(E)-2-[7-[(E)-2-(2,6-diphenylthiopyrylium-4-yl)ethenyl]-2,1,3-benzothiadiazol-4-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]ethenyl]-3-methoxy-N,N-dimethylaniline
CID 172764805
ethyl 3-(6-methylpyridazin-3-yl)prop-2-enoate
CID 169479999
4,6-bis[(E)-2-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)ethenyl]thieno[3,4-d][1,3]dithiol-2-one
CID 44557252

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-[2-[6-(6-methylpyridazin-3-yl)pyridazin-3-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine?
The IUPAC name of N,N-dimethyl-7-[2-[6-(6-methylpyridazin-3-yl)pyridazin-3-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine (CID 142701757) is N,N-dimethyl-7-[2-[6-(6-methylpyridazin-3-yl)pyridazin-3-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine.
What is the SMILES notation for N,N-dimethyl-7-[2-[6-(6-methylpyridazin-3-yl)pyridazin-3-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine?
The canonical SMILES for N,N-dimethyl-7-[2-[6-(6-methylpyridazin-3-yl)pyridazin-3-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine is Cc1ccc(-c2ccc(C=Cc3sc(N(C)C)c4c3OCCO4)nn2)nn1.
What is the InChIKey of N,N-dimethyl-7-[2-[6-(6-methylpyridazin-3-yl)pyridazin-3-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine?
The InChIKey is UINDIEHAIXRUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-12-4-7-14(22-20-12)15-8-5-13(21-23-15)6-9-16-17-18(26-11-10-25-17)19(27-16)24(2)3/h4-9H,10-11H2,1-3H3.
What are the key properties of N,N-dimethyl-7-[2-[6-(6-methylpyridazin-3-yl)pyridazin-3-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine?
N,N-dimethyl-7-[2-[6-(6-methylpyridazin-3-yl)pyridazin-3-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine has a molecular weight of 381.46 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-[2-[6-(6-methylpyridazin-3-yl)pyridazin-3-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine is sourced from PubChem (CID 142701757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).