6-chloro-N-(1-hydroxybutan-2-yl)pyridazine-3-carboxamide

C9H12ClN3O2 — CID 61041980

IUPAC6-chloro-N-(1-hydroxybutan-2-yl)pyridazine-3-carboxamide
SMILESCCC(CO)NC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C9H12ClN3O2/c1-2-6(5-14)11-9(15)7-3-4-8(10)13-12-7/h3-4,6,14H,2,5H2,1H3,(H,11,15)
InChIKeyPIELKSLYWAKVBE-UHFFFAOYSA-N
MW229.67 g/mol
LogP0.63
Rot. Bonds4

About 6-chloro-N-(1-hydroxybutan-2-yl)pyridazine-3-carboxamide

6-chloro-N-(1-hydroxybutan-2-yl)pyridazine-3-carboxamide (PubChem CID 61041980) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is 6-chloro-N-(1-hydroxybutan-2-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1-hydroxybutan-2-yl)pyridazine-3-carboxamide
PubChem CID61041980
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name6-chloro-N-(1-hydroxybutan-2-yl)pyridazine-3-carboxamide
SMILESCCC(CO)NC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C9H12ClN3O2/c1-2-6(5-14)11-9(15)7-3-4-8(10)13-12-7/h3-4,6,14H,2,5H2,1H3,(H,11,15)
InChIKeyPIELKSLYWAKVBE-UHFFFAOYSA-N
XLogP0.63
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-2-carboxamide
CID 103920023
6-chloro-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 62239936
N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707
ethyl 2-[(6-chloropyridazine-3-carbonyl)amino]propanoate
CID 54960391
N-[1-(4-bromophenyl)propyl]-6-chloropyridazine-3-carboxamide
CID 61041098
6-chloropyridazine-3-carbohydrazide
CID 10080848
6-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridazine-3-carboxamide
CID 107865144
6-chloro-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide
CID 51136210
6-[[(2R)-1-hydroxybutan-2-yl]amino]-N-methylpyridazine-3-carboxamide
CID 133434733
7-fluoro-N-(1-hydroxybutan-2-yl)quinoline-2-carboxamide
CID 110485367
N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-carboxamide
CID 141279449
N-[(2R)-1-hydroxybutan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 103920000

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-hydroxybutan-2-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(1-hydroxybutan-2-yl)pyridazine-3-carboxamide (CID 61041980) is 6-chloro-N-(1-hydroxybutan-2-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(1-hydroxybutan-2-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(1-hydroxybutan-2-yl)pyridazine-3-carboxamide is CCC(CO)NC(=O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(1-hydroxybutan-2-yl)pyridazine-3-carboxamide?
The InChIKey is PIELKSLYWAKVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c1-2-6(5-14)11-9(15)7-3-4-8(10)13-12-7/h3-4,6,14H,2,5H2,1H3,(H,11,15).
What are the key properties of 6-chloro-N-(1-hydroxybutan-2-yl)pyridazine-3-carboxamide?
6-chloro-N-(1-hydroxybutan-2-yl)pyridazine-3-carboxamide has a molecular weight of 229.67 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-hydroxybutan-2-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 61041980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).