3-(3,5-dimethylpyrazol-1-yl)-6-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyridazine

C17H23N9 — CID 163346374

IUPAC3-(3,5-dimethylpyrazol-1-yl)-6-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyridazine
SMILESCc1cc(C)n(-c2ccc(N3CCN(Cc4ncnn4C)CC3)nn2)n1
InChIInChI=1S/C17H23N9/c1-13-10-14(2)26(22-13)16-5-4-15(20-21-16)25-8-6-24(7-9-25)11-17-18-12-19-23(17)3/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyFOBQEIWAPYGOLA-UHFFFAOYSA-N
MW353.43 g/mol
LogP0.73
Rot. Bonds4

About 3-(3,5-dimethylpyrazol-1-yl)-6-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyridazine

3-(3,5-dimethylpyrazol-1-yl)-6-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyridazine (PubChem CID 163346374) has the molecular formula C17H23N9 and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-6-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-6-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyridazine
PubChem CID163346374
Molecular FormulaC17H23N9
Molecular Weight353.43 g/mol
Exact Mass353.21
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-6-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyridazine
SMILESCc1cc(C)n(-c2ccc(N3CCN(Cc4ncnn4C)CC3)nn2)n1
InChIInChI=1S/C17H23N9/c1-13-10-14(2)26(22-13)16-5-4-15(20-21-16)25-8-6-24(7-9-25)11-17-18-12-19-23(17)3/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyFOBQEIWAPYGOLA-UHFFFAOYSA-N
XLogP0.73
TPSA80.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridazine
CID 171327082
3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 133458607
4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine
CID 146074650
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 121034155
4-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide
CID 171324110
3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
CID 166601889
4-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 163349499
3-(3,5-dimethylpyrazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazine
CID 121034232
2-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylpyrimidine
CID 163345596
4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]furo[3,2-c]pyridine
CID 165434054
3-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine
CID 122339362
[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 122339198

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyridazine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyridazine (CID 163346374) is 3-(3,5-dimethylpyrazol-1-yl)-6-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-6-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyridazine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-6-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyridazine is Cc1cc(C)n(-c2ccc(N3CCN(Cc4ncnn4C)CC3)nn2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-6-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyridazine?
The InChIKey is FOBQEIWAPYGOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N9/c1-13-10-14(2)26(22-13)16-5-4-15(20-21-16)25-8-6-24(7-9-25)11-17-18-12-19-23(17)3/h4-5,10,12H,6-9,11H2,1-3H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-6-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyridazine?
3-(3,5-dimethylpyrazol-1-yl)-6-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyridazine has a molecular weight of 353.43 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-6-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyridazine is sourced from PubChem (CID 163346374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).