pyridazin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C13H14N6O — CID 110855018

IUPACpyridazin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccnn1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H14N6O/c20-12(11-3-1-6-16-17-11)18-7-9-19(10-8-18)13-14-4-2-5-15-13/h1-6H,7-10H2
InChIKeyHZJDWGAVGGQVQX-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.23
Rot. Bonds2

About pyridazin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

pyridazin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 110855018) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is pyridazin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namepyridazin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID110855018
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Namepyridazin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccnn1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H14N6O/c20-12(11-3-1-6-16-17-11)18-7-9-19(10-8-18)13-14-4-2-5-15-13/h1-6H,7-10H2
InChIKeyHZJDWGAVGGQVQX-UHFFFAOYSA-N
XLogP0.23
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-propan-2-ylpiperazin-1-yl)-pyridazin-3-ylmethanone
CID 126857128
[6-(morpholine-4-carbonyl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109096023
[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4155185
(1-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4770499
(4-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-pyridinyl]methanone
CID 109095456
5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
CID 22677757
(3-amino-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 104740881
(3-bromo-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 107517750
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-pyridazin-3-ylmethanone
CID 166364630
piperidin-1-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone
CID 109081080
N,N-diethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109098942

Frequently Asked Questions

What is the IUPAC name of pyridazin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of pyridazin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 110855018) is pyridazin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for pyridazin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for pyridazin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1cccnn1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of pyridazin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is HZJDWGAVGGQVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c20-12(11-3-1-6-16-17-11)18-7-9-19(10-8-18)13-14-4-2-5-15-13/h1-6H,7-10H2.
What are the key properties of pyridazin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
pyridazin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 270.30 g/mol, XLogP of 0.23, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridazin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 110855018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).