[6-(butan-2-ylamino)pyridazin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C17H23N7O — CID 109111412

IUPAC[6-(butan-2-ylamino)pyridazin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCCC(C)Nc1ccc(C(=O)N2CCN(c3ncccn3)CC2)nn1
InChIInChI=1S/C17H23N7O/c1-3-13(2)20-15-6-5-14(21-22-15)16(25)23-9-11-24(12-10-23)17-18-7-4-8-19-17/h4-8,13H,3,9-12H2,1-2H3,(H,20,22)
InChIKeyWELYXMLRCLMASI-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.44
Rot. Bonds5

About [6-(butan-2-ylamino)pyridazin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[6-(butan-2-ylamino)pyridazin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 109111412) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is [6-(butan-2-ylamino)pyridazin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(butan-2-ylamino)pyridazin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID109111412
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name[6-(butan-2-ylamino)pyridazin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCCC(C)Nc1ccc(C(=O)N2CCN(c3ncccn3)CC2)nn1
InChIInChI=1S/C17H23N7O/c1-3-13(2)20-15-6-5-14(21-22-15)16(25)23-9-11-24(12-10-23)17-18-7-4-8-19-17/h4-8,13H,3,9-12H2,1-2H3,(H,20,22)
InChIKeyWELYXMLRCLMASI-UHFFFAOYSA-N
XLogP1.44
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[6-(butan-2-ylamino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109111348
[6-(butan-2-ylamino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109111350
(4-butan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110761276
N-butan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112940719
[5-(butan-2-ylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109225372
[5-(propan-2-ylamino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109271423
pyridazin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855018
[6-(butan-2-ylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109111436
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[6-(propan-2-ylamino)pyridazin-3-yl]methanone
CID 109109462
1-[4-[6-(1-phenylethylamino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 109117215
2-ethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridazin-3-one
CID 121066958
4-[6-(propan-2-ylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109109417

Frequently Asked Questions

What is the IUPAC name of [6-(butan-2-ylamino)pyridazin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [6-(butan-2-ylamino)pyridazin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 109111412) is [6-(butan-2-ylamino)pyridazin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(butan-2-ylamino)pyridazin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(butan-2-ylamino)pyridazin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is CCC(C)Nc1ccc(C(=O)N2CCN(c3ncccn3)CC2)nn1.
What is the InChIKey of [6-(butan-2-ylamino)pyridazin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is WELYXMLRCLMASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-3-13(2)20-15-6-5-14(21-22-15)16(25)23-9-11-24(12-10-23)17-18-7-4-8-19-17/h4-8,13H,3,9-12H2,1-2H3,(H,20,22).
What are the key properties of [6-(butan-2-ylamino)pyridazin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[6-(butan-2-ylamino)pyridazin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 341.42 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(butan-2-ylamino)pyridazin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109111412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).