4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide

C13H19N5O3 — CID 110812163

IUPAC4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(C(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C13H19N5O3/c1-9(2)14-13(21)18-7-5-17(6-8-18)12(20)10-3-4-11(19)16-15-10/h3-4,9H,5-8H2,1-2H3,(H,14,21)(H,16,19)
InChIKeyQZHJXNSFARNUTR-UHFFFAOYSA-N
MW293.33 g/mol
LogP-0.35
Rot. Bonds2

About 4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide

4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 110812163) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID110812163
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(C(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C13H19N5O3/c1-9(2)14-13(21)18-7-5-17(6-8-18)12(20)10-3-4-11(19)16-15-10/h3-4,9H,5-8H2,1-2H3,(H,14,21)(H,16,19)
InChIKeyQZHJXNSFARNUTR-UHFFFAOYSA-N
XLogP-0.35
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propylpiperazine-1-carboxamide
CID 110812162
3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110803019
3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 38390180
ethyl 4-(6-oxo-1H-pyridazine-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808932
3-[4-(2,2,2-trifluoroacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 108533431
3-(3-oxo-4-propan-2-ylpiperazine-1-carbonyl)-1H-pyridazin-6-one
CID 110741309
3-[4-(dimethylamino)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 110483200
3-[4-(1H-pyrrole-3-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-6-one
CID 110816351
3-(4-benzhydrylpiperazine-1-carbonyl)-1H-pyridazin-6-one
CID 2022751
3-(4-pentanoylpiperazine-1-carbonyl)-1H-pyridazin-6-one
CID 110800607
3-[4-(2,6-dimethoxybenzoyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-6-one
CID 108544538
3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 5227998

Frequently Asked Questions

What is the IUPAC name of 4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide (CID 110812163) is 4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide is CC(C)NC(=O)N1CCN(C(=O)c2ccc(=O)[nH]n2)CC1.
What is the InChIKey of 4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is QZHJXNSFARNUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-9(2)14-13(21)18-7-5-17(6-8-18)12(20)10-3-4-11(19)16-15-10/h3-4,9H,5-8H2,1-2H3,(H,14,21)(H,16,19).
What are the key properties of 4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide?
4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 293.33 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 110812163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).