1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide

C11H17N3O3 — CID 110001003

IUPAC1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide
SMILESCCn1nc(C(=O)NC(C)(C)CO)ccc1=O
InChIInChI=1S/C11H17N3O3/c1-4-14-9(16)6-5-8(13-14)10(17)12-11(2,3)7-15/h5-6,15H,4,7H2,1-3H3,(H,12,17)
InChIKeyMWSDTMWOQHHALI-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.24
Rot. Bonds4

About 1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide

1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide (PubChem CID 110001003) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide
PubChem CID110001003
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide
SMILESCCn1nc(C(=O)NC(C)(C)CO)ccc1=O
InChIInChI=1S/C11H17N3O3/c1-4-14-9(16)6-5-8(13-14)10(17)12-11(2,3)7-15/h5-6,15H,4,7H2,1-3H3,(H,12,17)
InChIKeyMWSDTMWOQHHALI-UHFFFAOYSA-N
XLogP-0.24
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide (CID 110001003) is 1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide is CCn1nc(C(=O)NC(C)(C)CO)ccc1=O.
What is the InChIKey of 1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide?
The InChIKey is MWSDTMWOQHHALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-14-9(16)6-5-8(13-14)10(17)12-11(2,3)7-15/h5-6,15H,4,7H2,1-3H3,(H,12,17).
What are the key properties of 1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide?
1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide has a molecular weight of 239.27 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 110001003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).