N-(4-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide

C10H15N3O3 — CID 115735908

IUPACN-(4-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(CO)C(C)NC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H15N3O3/c1-6(5-14)7(2)11-10(16)8-3-4-9(15)13-12-8/h3-4,6-7,14H,5H2,1-2H3,(H,11,16)(H,13,15)
InChIKeyUQTJDOFVBZOTFF-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.48
Rot. Bonds4

About N-(4-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide

N-(4-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 115735908) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID115735908
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-(4-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(CO)C(C)NC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H15N3O3/c1-6(5-14)7(2)11-10(16)8-3-4-9(15)13-12-8/h3-4,6-7,14H,5H2,1-2H3,(H,11,16)(H,13,15)
InChIKeyUQTJDOFVBZOTFF-UHFFFAOYSA-N
XLogP-0.48
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-2-methylpentan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 94198841
N-(4-aminobutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103942956
N-(1-cyanoethyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 82281497
6-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyridazine-3-carboxamide
CID 30539711
N-[1-(4-bromophenyl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 47210931
N-[1-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 42893197
N-(4-hydroxy-3-methylbutan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 115770821
2-cyclopropyl-2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetic acid
CID 62694960
N-[1-(2-methoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 42886245
N-[(2S)-1-cyclohexyl-3,3-dimethylbutan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 95628579
N-[(1S)-1-naphthalen-2-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 38619235
6-oxo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1H-pyridazine-3-carboxamide
CID 37203450

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(4-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide (CID 115735908) is N-(4-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide is CC(CO)C(C)NC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(4-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is UQTJDOFVBZOTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6(5-14)7(2)11-10(16)8-3-4-9(15)13-12-8/h3-4,6-7,14H,5H2,1-2H3,(H,11,16)(H,13,15).
What are the key properties of N-(4-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(4-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 115735908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).