[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1-methyltriazol-4-yl)methanone

C17H25N9O — CID 122336407

IUPAC[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1-methyltriazol-4-yl)methanone
SMILESCN1CCN(c2ccc(N3CCN(C(=O)c4cn(C)nn4)CC3)nn2)CC1
InChIInChI=1S/C17H25N9O/c1-22-5-7-24(8-6-22)15-3-4-16(20-19-15)25-9-11-26(12-10-25)17(27)14-13-23(2)21-18-14/h3-4,13H,5-12H2,1-2H3
InChIKeyWVIPRGIXOKIZQS-UHFFFAOYSA-N
MW371.45 g/mol
LogP-0.68
Rot. Bonds3

About [4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1-methyltriazol-4-yl)methanone

[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1-methyltriazol-4-yl)methanone (PubChem CID 122336407) has the molecular formula C17H25N9O and a molecular weight of 371.45 g/mol. Its IUPAC name is [4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1-methyltriazol-4-yl)methanone
PubChem CID122336407
Molecular FormulaC17H25N9O
Molecular Weight371.45 g/mol
Exact Mass371.22
IUPAC Name[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1-methyltriazol-4-yl)methanone
SMILESCN1CCN(c2ccc(N3CCN(C(=O)c4cn(C)nn4)CC3)nn2)CC1
InChIInChI=1S/C17H25N9O/c1-22-5-7-24(8-6-22)15-3-4-16(20-19-15)25-9-11-26(12-10-25)17(27)14-13-23(2)21-18-14/h3-4,13H,5-12H2,1-2H3
InChIKeyWVIPRGIXOKIZQS-UHFFFAOYSA-N
XLogP-0.68
TPSA86.52 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 5-0.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109116154
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111898
(1-methyltriazol-4-yl)-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347660
(1-methyltriazol-4-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342905
[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 122336357
1-[4-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]phenyl]ethanone
CID 122336493
[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116337
(4-benzylpiperazin-1-yl)-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109116153
[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 122333055
1-(1-methyltriazole-4-carbonyl)piperidine-4-carboxylic acid
CID 110461894
3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109116144
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116317

Frequently Asked Questions

What is the IUPAC name of [4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1-methyltriazol-4-yl)methanone?
The IUPAC name of [4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1-methyltriazol-4-yl)methanone (CID 122336407) is [4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1-methyltriazol-4-yl)methanone.
What is the SMILES notation for [4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1-methyltriazol-4-yl)methanone?
The canonical SMILES for [4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1-methyltriazol-4-yl)methanone is CN1CCN(c2ccc(N3CCN(C(=O)c4cn(C)nn4)CC3)nn2)CC1.
What is the InChIKey of [4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1-methyltriazol-4-yl)methanone?
The InChIKey is WVIPRGIXOKIZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N9O/c1-22-5-7-24(8-6-22)15-3-4-16(20-19-15)25-9-11-26(12-10-25)17(27)14-13-23(2)21-18-14/h3-4,13H,5-12H2,1-2H3.
What are the key properties of [4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1-methyltriazol-4-yl)methanone?
[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1-methyltriazol-4-yl)methanone has a molecular weight of 371.45 g/mol, XLogP of -0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1-methyltriazol-4-yl)methanone is sourced from PubChem (CID 122336407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).