(4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone

C10H14N4O — CID 112702155

IUPAC(4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone
SMILESCN1CCN(C(=O)c2ccnnc2)CC1
InChIInChI=1S/C10H14N4O/c1-13-4-6-14(7-5-13)10(15)9-2-3-11-12-8-9/h2-3,8H,4-7H2,1H3
InChIKeyPSAWOQHCHWLWCC-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.14
Rot. Bonds1

About (4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone

(4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone (PubChem CID 112702155) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone
PubChem CID112702155
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name(4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone
SMILESCN1CCN(C(=O)c2ccnnc2)CC1
InChIInChI=1S/C10H14N4O/c1-13-4-6-14(7-5-13)10(15)9-2-3-11-12-8-9/h2-3,8H,4-7H2,1H3
InChIKeyPSAWOQHCHWLWCC-UHFFFAOYSA-N
XLogP-0.14
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
methyl 3-[4-(pyridazine-4-carbonyl)piperazin-1-yl]propanoate
CID 115769373
(4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone
CID 146084360
morpholin-4-yl(pyridazin-4-yl)methanone
CID 115736040
[4-(4-aminobutyl)piperazin-1-yl]-pyridazin-4-ylmethanone
CID 104668899
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
(5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 63864754
(4-hydroxy-4-methylazepan-1-yl)-pyridazin-4-ylmethanone
CID 107405992
(2-tert-butyl-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 4731355
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
2-phenyl-1-[4-(pyridazine-4-carbonyl)piperazin-1-yl]ethanone
CID 136517874
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone?
The IUPAC name of (4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone (CID 112702155) is (4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone is CN1CCN(C(=O)c2ccnnc2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone?
The InChIKey is PSAWOQHCHWLWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-13-4-6-14(7-5-13)10(15)9-2-3-11-12-8-9/h2-3,8H,4-7H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone?
(4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone has a molecular weight of 206.25 g/mol, XLogP of -0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone is sourced from PubChem (CID 112702155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).