6-methyl-N-(4-methylpiperazin-1-yl)-4-oxo-1-phenylpyridazine-3-carboxamide

C17H21N5O2 — CID 9075242

IUPAC6-methyl-N-(4-methylpiperazin-1-yl)-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NN2CCN(C)CC2)nn1-c1ccccc1
InChIInChI=1S/C17H21N5O2/c1-13-12-15(23)16(18-22(13)14-6-4-3-5-7-14)17(24)19-21-10-8-20(2)9-11-21/h3-7,12H,8-11H2,1-2H3,(H,19,24)
InChIKeyQITCIVBILMSGCQ-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.43
Rot. Bonds3

About 6-methyl-N-(4-methylpiperazin-1-yl)-4-oxo-1-phenylpyridazine-3-carboxamide

6-methyl-N-(4-methylpiperazin-1-yl)-4-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 9075242) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 6-methyl-N-(4-methylpiperazin-1-yl)-4-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(4-methylpiperazin-1-yl)-4-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID9075242
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name6-methyl-N-(4-methylpiperazin-1-yl)-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NN2CCN(C)CC2)nn1-c1ccccc1
InChIInChI=1S/C17H21N5O2/c1-13-12-15(23)16(18-22(13)14-6-4-3-5-7-14)17(24)19-21-10-8-20(2)9-11-21/h3-7,12H,8-11H2,1-2H3,(H,19,24)
InChIKeyQITCIVBILMSGCQ-UHFFFAOYSA-N
XLogP0.43
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(4-methylpiperazin-1-yl)-4-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-methyl-N-(4-methylpiperazin-1-yl)-4-oxo-1-phenylpyridazine-3-carboxamide (CID 9075242) is 6-methyl-N-(4-methylpiperazin-1-yl)-4-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(4-methylpiperazin-1-yl)-4-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-methyl-N-(4-methylpiperazin-1-yl)-4-oxo-1-phenylpyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NN2CCN(C)CC2)nn1-c1ccccc1.
What is the InChIKey of 6-methyl-N-(4-methylpiperazin-1-yl)-4-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is QITCIVBILMSGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-13-12-15(23)16(18-22(13)14-6-4-3-5-7-14)17(24)19-21-10-8-20(2)9-11-21/h3-7,12H,8-11H2,1-2H3,(H,19,24).
What are the key properties of 6-methyl-N-(4-methylpiperazin-1-yl)-4-oxo-1-phenylpyridazine-3-carboxamide?
6-methyl-N-(4-methylpiperazin-1-yl)-4-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(4-methylpiperazin-1-yl)-4-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 9075242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).