3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one

C15H15N5O3 — CID 110803019

IUPAC3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C(c1ccncc1)N1CCN(C(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C15H15N5O3/c21-13-2-1-12(17-18-13)15(23)20-9-7-19(8-10-20)14(22)11-3-5-16-6-4-11/h1-6H,7-10H2,(H,18,21)
InChIKeyBCHMNOSVHZEIAF-UHFFFAOYSA-N
MW313.32 g/mol
LogP-0.24
Rot. Bonds2

About 3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one

3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 110803019) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is 3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID110803019
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Name3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C(c1ccncc1)N1CCN(C(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C15H15N5O3/c21-13-2-1-12(17-18-13)15(23)20-9-7-19(8-10-20)14(22)11-3-5-16-6-4-11/h1-6H,7-10H2,(H,18,21)
InChIKeyBCHMNOSVHZEIAF-UHFFFAOYSA-N
XLogP-0.24
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(1H-pyrrole-3-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-6-one
CID 110816351
3-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 32823096
3-[4-(2,2,2-trifluoroacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 108533431
3-(4-pyridin-4-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carbonyl)-1H-pyridazin-6-one
CID 131691024
3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 38390180
3-[4-(6-oxo-1H-pyridin-3-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110745900
4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 110812163
3-[4-(dimethylamino)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 110483200
3-(4-pentanoylpiperazine-1-carbonyl)-1H-pyridazin-6-one
CID 110800607
3-(4-benzhydrylpiperazine-1-carbonyl)-1H-pyridazin-6-one
CID 2022751
3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 5227998
4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propylpiperazine-1-carboxamide
CID 110812162

Frequently Asked Questions

What is the IUPAC name of 3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one (CID 110803019) is 3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one is O=C(c1ccncc1)N1CCN(C(=O)c2ccc(=O)[nH]n2)CC1.
What is the InChIKey of 3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is BCHMNOSVHZEIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c21-13-2-1-12(17-18-13)15(23)20-9-7-19(8-10-20)14(22)11-3-5-16-6-4-11/h1-6H,7-10H2,(H,18,21).
What are the key properties of 3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 313.32 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 110803019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).