(2,5-dimethylfuran-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

C17H19N7O2 — CID 71811015

IUPAC(2,5-dimethylfuran-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3ccc(-n4cncn4)nn3)CC2)c(C)o1
InChIInChI=1S/C17H19N7O2/c1-12-9-14(13(2)26-12)17(25)23-7-5-22(6-8-23)15-3-4-16(21-20-15)24-11-18-10-19-24/h3-4,9-11H,5-8H2,1-2H3
InChIKeyJBGGTOCKYHSHPF-UHFFFAOYSA-N
MW353.39 g/mol
LogP1.23
Rot. Bonds3

About (2,5-dimethylfuran-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

(2,5-dimethylfuran-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 71811015) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID71811015
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC Name(2,5-dimethylfuran-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3ccc(-n4cncn4)nn3)CC2)c(C)o1
InChIInChI=1S/C17H19N7O2/c1-12-9-14(13(2)26-12)17(25)23-7-5-22(6-8-23)15-3-4-16(21-20-15)24-11-18-10-19-24/h3-4,9-11H,5-8H2,1-2H3
InChIKeyJBGGTOCKYHSHPF-UHFFFAOYSA-N
XLogP1.23
TPSA93.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2,4-dimethoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145831
(2,5-dimethylfuran-3-yl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113824
(2,4-difluorophenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145840
(4-methoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145829
phenyl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145824
(2,5-dimethylfuran-3-yl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122346868
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
(4-phenoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121146052
2H-benzotriazol-5-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 72719892
1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213
4-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]benzonitrile
CID 121145982

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (CID 71811015) is (2,5-dimethylfuran-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(c3ccc(-n4cncn4)nn3)CC2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is JBGGTOCKYHSHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c1-12-9-14(13(2)26-12)17(25)23-7-5-22(6-8-23)15-3-4-16(21-20-15)24-11-18-10-19-24/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
(2,5-dimethylfuran-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 353.39 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 71811015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).