N-(1-hydroxy-2-methylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C10H17N3O3 — CID 64555831

IUPACN-(1-hydroxy-2-methylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCCC(C)(CO)NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C10H17N3O3/c1-3-10(2,6-14)11-9(16)7-4-5-8(15)13-12-7/h14H,3-6H2,1-2H3,(H,11,16)(H,13,15)
InChIKeyLUIHYRKFDSBOHT-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.47
Rot. Bonds4

About N-(1-hydroxy-2-methylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(1-hydroxy-2-methylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 64555831) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID64555831
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-(1-hydroxy-2-methylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCCC(C)(CO)NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C10H17N3O3/c1-3-10(2,6-14)11-9(16)7-4-5-8(15)13-12-7/h14H,3-6H2,1-2H3,(H,11,16)(H,13,15)
InChIKeyLUIHYRKFDSBOHT-UHFFFAOYSA-N
XLogP-0.47
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 64555831) is N-(1-hydroxy-2-methylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CCC(C)(CO)NC(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-(1-hydroxy-2-methylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is LUIHYRKFDSBOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-3-10(2,6-14)11-9(16)7-4-5-8(15)13-12-7/h14H,3-6H2,1-2H3,(H,11,16)(H,13,15).
What are the key properties of N-(1-hydroxy-2-methylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(1-hydroxy-2-methylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 227.26 g/mol, XLogP of -0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 64555831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).