4-[4-(2-methylpyrimidine-5-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one

C20H20N6O2 — CID 74240607

IUPAC4-[4-(2-methylpyrimidine-5-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
SMILESCc1ncc(C(=O)N2CCN(c3cc(=O)[nH]nc3-c3ccccc3)CC2)cn1
InChIInChI=1S/C20H20N6O2/c1-14-21-12-16(13-22-14)20(28)26-9-7-25(8-10-26)17-11-18(27)23-24-19(17)15-5-3-2-4-6-15/h2-6,11-13H,7-10H2,1H3,(H,23,27)
InChIKeyYSDYZPGNCFHJPW-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.50
Rot. Bonds3

About 4-[4-(2-methylpyrimidine-5-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one

4-[4-(2-methylpyrimidine-5-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one (PubChem CID 74240607) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 4-[4-(2-methylpyrimidine-5-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[4-(2-methylpyrimidine-5-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
PubChem CID74240607
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name4-[4-(2-methylpyrimidine-5-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
SMILESCc1ncc(C(=O)N2CCN(c3cc(=O)[nH]nc3-c3ccccc3)CC2)cn1
InChIInChI=1S/C20H20N6O2/c1-14-21-12-16(13-22-14)20(28)26-9-7-25(8-10-26)17-11-18(27)23-24-19(17)15-5-3-2-4-6-15/h2-6,11-13H,7-10H2,1H3,(H,23,27)
InChIKeyYSDYZPGNCFHJPW-UHFFFAOYSA-N
XLogP1.50
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(cyclopent-3-ene-1-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
CID 154581330
3-phenyl-4-(4-phenylpiperazin-1-yl)-1H-pyridazin-6-one
CID 5158500
(2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone
CID 96588033
4-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
CID 154581617
4-morpholin-4-yl-3-phenyl-1H-pyridazin-6-one
CID 3770299
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 96588883
(2-methylpyrimidin-5-yl)-pyrrolidin-1-ylmethanone
CID 89084134
4-[4-[(3-hydroxypyrrolidin-3-yl)methyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
CID 70746850
4-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
CID 91837844
(2-methylpyrimidin-5-yl)-piperazin-1-ylmethanone
CID 82507134
[4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 18147919
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
CID 91834549

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpyrimidine-5-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
The IUPAC name of 4-[4-(2-methylpyrimidine-5-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one (CID 74240607) is 4-[4-(2-methylpyrimidine-5-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-[4-(2-methylpyrimidine-5-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
The canonical SMILES for 4-[4-(2-methylpyrimidine-5-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one is Cc1ncc(C(=O)N2CCN(c3cc(=O)[nH]nc3-c3ccccc3)CC2)cn1.
What is the InChIKey of 4-[4-(2-methylpyrimidine-5-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
The InChIKey is YSDYZPGNCFHJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-14-21-12-16(13-22-14)20(28)26-9-7-25(8-10-26)17-11-18(27)23-24-19(17)15-5-3-2-4-6-15/h2-6,11-13H,7-10H2,1H3,(H,23,27).
What are the key properties of 4-[4-(2-methylpyrimidine-5-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
4-[4-(2-methylpyrimidine-5-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one has a molecular weight of 376.42 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpyrimidine-5-carbonyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one is sourced from PubChem (CID 74240607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).