5-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione

C18H17N7O3 — CID 121058350

IUPAC5-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1c[nH]c(=O)[nH]c1=O)N1CCN(c2ccc(-c3ccncc3)nn2)CC1
InChIInChI=1S/C18H17N7O3/c26-16-13(11-20-18(28)21-16)17(27)25-9-7-24(8-10-25)15-2-1-14(22-23-15)12-3-5-19-6-4-12/h1-6,11H,7-10H2,(H2,20,21,26,28)
InChIKeyLCEZHLSMLAHWNM-UHFFFAOYSA-N
MW379.38 g/mol
LogP-0.12
Rot. Bonds3

About 5-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione

5-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 121058350) has the molecular formula C18H17N7O3 and a molecular weight of 379.38 g/mol. Its IUPAC name is 5-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID121058350
Molecular FormulaC18H17N7O3
Molecular Weight379.38 g/mol
Exact Mass379.14
IUPAC Name5-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1c[nH]c(=O)[nH]c1=O)N1CCN(c2ccc(-c3ccncc3)nn2)CC1
InChIInChI=1S/C18H17N7O3/c26-16-13(11-20-18(28)21-16)17(27)25-9-7-24(8-10-25)15-2-1-14(22-23-15)12-3-5-19-6-4-12/h1-6,11H,7-10H2,(H2,20,21,26,28)
InChIKeyLCEZHLSMLAHWNM-UHFFFAOYSA-N
XLogP-0.12
TPSA127.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

5-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 110854947
1,2-oxazol-5-yl-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058281
(3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058315
5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 90517045
2-phenyl-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121058240
[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 121058331
pyridin-4-yl-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058477
2-phenoxy-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 121058263
(1-methylsulfonylpiperidin-4-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058275
(3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058422
[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 42110700
[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 42110651

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 121058350) is 5-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione is O=C(c1c[nH]c(=O)[nH]c1=O)N1CCN(c2ccc(-c3ccncc3)nn2)CC1.
What is the InChIKey of 5-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is LCEZHLSMLAHWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O3/c26-16-13(11-20-18(28)21-16)17(27)25-9-7-24(8-10-25)15-2-1-14(22-23-15)12-3-5-19-6-4-12/h1-6,11H,7-10H2,(H2,20,21,26,28).
What are the key properties of 5-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione?
5-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 379.38 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 121058350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).