(E)-2-[7-[(E)-2-(dimethylamino)ethenyl]-3-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl]-N,N-dimethylethenamine

C20H24N6 — CID 139213761

IUPAC(E)-2-[7-[(E)-2-(dimethylamino)ethenyl]-3-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl]-N,N-dimethylethenamine
SMILESCc1c2c(/C=C/N(C)C)nnc(/C=C/N(C)C)c2nn1-c1ccccc1
InChIInChI=1S/C20H24N6/c1-15-19-17(11-13-24(2)3)21-22-18(12-14-25(4)5)20(19)23-26(15)16-9-7-6-8-10-16/h6-14H,1-5H3/b13-11+,14-12+
InChIKeyZGDVRYFHTKKSIJ-PHEQNACWSA-N
MW348.45 g/mol
LogP3.19
Rot. Bonds5

About (E)-2-[7-[(E)-2-(dimethylamino)ethenyl]-3-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl]-N,N-dimethylethenamine

(E)-2-[7-[(E)-2-(dimethylamino)ethenyl]-3-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl]-N,N-dimethylethenamine (PubChem CID 139213761) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is (E)-2-[7-[(E)-2-(dimethylamino)ethenyl]-3-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl]-N,N-dimethylethenamine.

Molecular Properties

Compound Name(E)-2-[7-[(E)-2-(dimethylamino)ethenyl]-3-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl]-N,N-dimethylethenamine
PubChem CID139213761
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name(E)-2-[7-[(E)-2-(dimethylamino)ethenyl]-3-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl]-N,N-dimethylethenamine
SMILESCc1c2c(/C=C/N(C)C)nnc(/C=C/N(C)C)c2nn1-c1ccccc1
InChIInChI=1S/C20H24N6/c1-15-19-17(11-13-24(2)3)21-22-18(12-14-25(4)5)20(19)23-26(15)16-9-7-6-8-10-16/h6-14H,1-5H3/b13-11+,14-12+
InChIKeyZGDVRYFHTKKSIJ-PHEQNACWSA-N
XLogP3.19
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[7-[(E)-2-(dimethylamino)ethenyl]-3-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl]-N,N-dimethylethenamine?
The IUPAC name of (E)-2-[7-[(E)-2-(dimethylamino)ethenyl]-3-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl]-N,N-dimethylethenamine (CID 139213761) is (E)-2-[7-[(E)-2-(dimethylamino)ethenyl]-3-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl]-N,N-dimethylethenamine.
What is the SMILES notation for (E)-2-[7-[(E)-2-(dimethylamino)ethenyl]-3-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl]-N,N-dimethylethenamine?
The canonical SMILES for (E)-2-[7-[(E)-2-(dimethylamino)ethenyl]-3-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl]-N,N-dimethylethenamine is Cc1c2c(/C=C/N(C)C)nnc(/C=C/N(C)C)c2nn1-c1ccccc1.
What is the InChIKey of (E)-2-[7-[(E)-2-(dimethylamino)ethenyl]-3-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl]-N,N-dimethylethenamine?
The InChIKey is ZGDVRYFHTKKSIJ-PHEQNACWSA-N. The full InChI is InChI=1S/C20H24N6/c1-15-19-17(11-13-24(2)3)21-22-18(12-14-25(4)5)20(19)23-26(15)16-9-7-6-8-10-16/h6-14H,1-5H3/b13-11+,14-12+.
What are the key properties of (E)-2-[7-[(E)-2-(dimethylamino)ethenyl]-3-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl]-N,N-dimethylethenamine?
(E)-2-[7-[(E)-2-(dimethylamino)ethenyl]-3-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl]-N,N-dimethylethenamine has a molecular weight of 348.45 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[7-[(E)-2-(dimethylamino)ethenyl]-3-methyl-2-phenylpyrazolo[3,4-d]pyridazin-4-yl]-N,N-dimethylethenamine is sourced from PubChem (CID 139213761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).