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

C18H22N8 — CID 133458607

IUPAC3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine
SMILESCc1cc(C)n(-c2ccc(N3CCN(c4ccnc(C)n4)CC3)nn2)n1
InChIInChI=1S/C18H22N8/c1-13-12-14(2)26(23-13)18-5-4-17(21-22-18)25-10-8-24(9-11-25)16-6-7-19-15(3)20-16/h4-7,12H,8-11H2,1-3H3
InChIKeyBHJMJKLXECCIAP-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.70
Rot. Bonds3

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

3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine (PubChem CID 133458607) has the molecular formula C18H22N8 and a molecular weight of 350.43 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine
PubChem CID133458607
Molecular FormulaC18H22N8
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine
SMILESCc1cc(C)n(-c2ccc(N3CCN(c4ccnc(C)n4)CC3)nn2)n1
InChIInChI=1S/C18H22N8/c1-13-12-14(2)26(23-13)18-5-4-17(21-22-18)25-10-8-24(9-11-25)16-6-7-19-15(3)20-16/h4-7,12H,8-11H2,1-3H3
InChIKeyBHJMJKLXECCIAP-UHFFFAOYSA-N
XLogP1.70
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 165433739
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
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 121034155
N-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide
CID 133458571
3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridazine
CID 171327082
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
CID 154853730
3-(3,5-dimethylpyrazol-1-yl)-6-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyridazine
CID 163346374
3-(3,5-dimethylpyrazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazine
CID 121034232
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484
[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 122339198
3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
CID 112818291

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine (CID 133458607) is 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine is Cc1cc(C)n(-c2ccc(N3CCN(c4ccnc(C)n4)CC3)nn2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine?
The InChIKey is BHJMJKLXECCIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8/c1-13-12-14(2)26(23-13)18-5-4-17(21-22-18)25-10-8-24(9-11-25)16-6-7-19-15(3)20-16/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine?
3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine has a molecular weight of 350.43 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine is sourced from PubChem (CID 133458607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).