[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

C17H25N7O — CID 122334122

IUPAC[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CCN(c2ccc(N(C)C)nn2)CC1
InChIInChI=1S/C17H25N7O/c1-12-16(13(2)22(5)20-12)17(25)24-10-8-23(9-11-24)15-7-6-14(18-19-15)21(3)4/h6-7H,8-11H2,1-5H3
InChIKeyYPKBTQUJVCRZOO-UHFFFAOYSA-N
MW343.44 g/mol
LogP0.86
Rot. Bonds3

About [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 122334122) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID122334122
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CCN(c2ccc(N(C)C)nn2)CC1
InChIInChI=1S/C17H25N7O/c1-12-16(13(2)22(5)20-12)17(25)24-10-8-23(9-11-24)15-7-6-14(18-19-15)21(3)4/h6-7H,8-11H2,1-5H3
InChIKeyYPKBTQUJVCRZOO-UHFFFAOYSA-N
XLogP0.86
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 122334034
1-[4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]phenyl]ethanone
CID 122334176
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 122334078
4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]benzonitrile
CID 122334084
[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 122340854
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 121053720
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 122335542
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 122334029
1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one
CID 121053699
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 121053728
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121053718
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 122334080

Frequently Asked Questions

What is the IUPAC name of [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 122334122) is [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is Cc1nn(C)c(C)c1C(=O)N1CCN(c2ccc(N(C)C)nn2)CC1.
What is the InChIKey of [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is YPKBTQUJVCRZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-12-16(13(2)22(5)20-12)17(25)24-10-8-23(9-11-24)15-7-6-14(18-19-15)21(3)4/h6-7H,8-11H2,1-5H3.
What are the key properties of [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 343.44 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 122334122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).