(2,4-dimethoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

C19H21N7O3 — CID 121145831

IUPAC(2,4-dimethoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ccc(-n4cncn4)nn3)CC2)c(OC)c1
InChIInChI=1S/C19H21N7O3/c1-28-14-3-4-15(16(11-14)29-2)19(27)25-9-7-24(8-10-25)17-5-6-18(23-22-17)26-13-20-12-21-26/h3-6,11-13H,7-10H2,1-2H3
InChIKeyGFEIEGOVWKBYDQ-UHFFFAOYSA-N
MW395.42 g/mol
LogP1.04
Rot. Bonds5

About (2,4-dimethoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

(2,4-dimethoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 121145831) has the molecular formula C19H21N7O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID121145831
Molecular FormulaC19H21N7O3
Molecular Weight395.42 g/mol
Exact Mass395.17
IUPAC Name(2,4-dimethoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ccc(-n4cncn4)nn3)CC2)c(OC)c1
InChIInChI=1S/C19H21N7O3/c1-28-14-3-4-15(16(11-14)29-2)19(27)25-9-7-24(8-10-25)17-5-6-18(23-22-17)26-13-20-12-21-26/h3-6,11-13H,7-10H2,1-2H3
InChIKeyGFEIEGOVWKBYDQ-UHFFFAOYSA-N
XLogP1.04
TPSA98.50 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(4-methoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145829
(2,5-dimethylfuran-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 71811015
(2,4-difluorophenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145840
(2,4-dimethoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228487
[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 30773707
(E)-3-(3,4-dimethoxyphenyl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]prop-2-en-1-one
CID 121145922
(4-phenoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121146052
phenyl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145824
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626649
1-(3-methoxyphenyl)-4-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 121146028
pyridin-3-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 72719875
1H-1,2,4-triazol-5-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121146117

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (CID 121145831) is (2,4-dimethoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(c3ccc(-n4cncn4)nn3)CC2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is GFEIEGOVWKBYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O3/c1-28-14-3-4-15(16(11-14)29-2)19(27)25-9-7-24(8-10-25)17-5-6-18(23-22-17)26-13-20-12-21-26/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of (2,4-dimethoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
(2,4-dimethoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 395.42 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 121145831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).