[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone

C19H22N8O — CID 122334029

IUPAC[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
SMILESCN(C)c1ccc(N2CCN(C(=O)c3cnn(-c4ccccc4)n3)CC2)nn1
InChIInChI=1S/C19H22N8O/c1-24(2)17-8-9-18(22-21-17)25-10-12-26(13-11-25)19(28)16-14-20-27(23-16)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3
InChIKeyLHGGAGZSWPYPLE-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.09
Rot. Bonds4

About [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone

[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone (PubChem CID 122334029) has the molecular formula C19H22N8O and a molecular weight of 378.44 g/mol. Its IUPAC name is [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
PubChem CID122334029
Molecular FormulaC19H22N8O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC Name[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
SMILESCN(C)c1ccc(N2CCN(C(=O)c3cnn(-c4ccccc4)n3)CC2)nn1
InChIInChI=1S/C19H22N8O/c1-24(2)17-8-9-18(22-21-17)25-10-12-26(13-11-25)19(28)16-14-20-27(23-16)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3
InChIKeyLHGGAGZSWPYPLE-UHFFFAOYSA-N
XLogP1.09
TPSA83.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 121059939
[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 122341014
6-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 122334034
[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 51176610
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 51174933
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 122334080
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 122334078
(2-phenyltriazol-4-yl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344085
1-[4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]phenyl]ethanone
CID 122334176
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 121053728
[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 122339956
1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 121053737

Frequently Asked Questions

What is the IUPAC name of [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The IUPAC name of [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone (CID 122334029) is [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone.
What is the SMILES notation for [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The canonical SMILES for [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone is CN(C)c1ccc(N2CCN(C(=O)c3cnn(-c4ccccc4)n3)CC2)nn1.
What is the InChIKey of [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The InChIKey is LHGGAGZSWPYPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O/c1-24(2)17-8-9-18(22-21-17)25-10-12-26(13-11-25)19(28)16-14-20-27(23-16)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3.
What are the key properties of [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone?
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone has a molecular weight of 378.44 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 122334029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).