6-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridazine-3-carboxamide

C10H14ClN3O3 — CID 107865144

IUPAC6-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridazine-3-carboxamide
SMILESCCC(CO)(CO)NC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C10H14ClN3O3/c1-2-10(5-15,6-16)12-9(17)7-3-4-8(11)14-13-7/h3-4,15-16H,2,5-6H2,1H3,(H,12,17)
InChIKeyMALDRFATUNCXMT-UHFFFAOYSA-N
MW259.69 g/mol
LogP-0.01
Rot. Bonds5

About 6-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridazine-3-carboxamide

6-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridazine-3-carboxamide (PubChem CID 107865144) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is 6-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridazine-3-carboxamide
PubChem CID107865144
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Name6-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridazine-3-carboxamide
SMILESCCC(CO)(CO)NC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C10H14ClN3O3/c1-2-10(5-15,6-16)12-9(17)7-3-4-8(11)14-13-7/h3-4,15-16H,2,5-6H2,1H3,(H,12,17)
InChIKeyMALDRFATUNCXMT-UHFFFAOYSA-N
XLogP-0.01
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide
CID 113435003
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide
CID 103890812
5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide
CID 55153816
6-chloropyridazine-3-carbohydrazide
CID 10080848
6-chloro-N-(1-hydroxybutan-2-yl)pyridazine-3-carboxamide
CID 61041980
N-[3-(hydroxymethyl)pentan-3-yl]-1,2-oxazole-3-carboxamide
CID 62520148
6-chloro-N-(4-hydroxy-2,2-dimethylbutyl)pyridazine-3-carboxamide
CID 106140440
1-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]isoquinoline-3-carboxamide
CID 104630197
N-[3-(hydroxymethyl)pentan-3-yl]quinoline-2-carboxamide
CID 62517417
6-chloropyridazine-3-carboxylic acid;propane
CID 153337925
2-chloro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 62517955
6-chloro-N-(2-ethylphenyl)pyridazine-3-carboxamide
CID 60859186

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridazine-3-carboxamide (CID 107865144) is 6-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridazine-3-carboxamide is CCC(CO)(CO)NC(=O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridazine-3-carboxamide?
The InChIKey is MALDRFATUNCXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3/c1-2-10(5-15,6-16)12-9(17)7-3-4-8(11)14-13-7/h3-4,15-16H,2,5-6H2,1H3,(H,12,17).
What are the key properties of 6-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridazine-3-carboxamide?
6-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridazine-3-carboxamide has a molecular weight of 259.69 g/mol, XLogP of -0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 107865144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).