3,6-dichloro-N-(2-hydroxyethyl)pyridazine-4-carboxamide

C7H7Cl2N3O2 — CID 43501013

IUPAC3,6-dichloro-N-(2-hydroxyethyl)pyridazine-4-carboxamide
SMILESO=C(NCCO)c1cc(Cl)nnc1Cl
InChIInChI=1S/C7H7Cl2N3O2/c8-5-3-4(6(9)12-11-5)7(14)10-1-2-13/h3,13H,1-2H2,(H,10,14)
InChIKeyNGXIFUDEPDQVJG-UHFFFAOYSA-N
MW236.06 g/mol
LogP0.51
Rot. Bonds3

About 3,6-dichloro-N-(2-hydroxyethyl)pyridazine-4-carboxamide

3,6-dichloro-N-(2-hydroxyethyl)pyridazine-4-carboxamide (PubChem CID 43501013) has the molecular formula C7H7Cl2N3O2 and a molecular weight of 236.06 g/mol. Its IUPAC name is 3,6-dichloro-N-(2-hydroxyethyl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(2-hydroxyethyl)pyridazine-4-carboxamide
PubChem CID43501013
Molecular FormulaC7H7Cl2N3O2
Molecular Weight236.06 g/mol
Exact Mass234.99
IUPAC Name3,6-dichloro-N-(2-hydroxyethyl)pyridazine-4-carboxamide
SMILESO=C(NCCO)c1cc(Cl)nnc1Cl
InChIInChI=1S/C7H7Cl2N3O2/c8-5-3-4(6(9)12-11-5)7(14)10-1-2-13/h3,13H,1-2H2,(H,10,14)
InChIKeyNGXIFUDEPDQVJG-UHFFFAOYSA-N
XLogP0.51
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dichloro-N-(3-methylbutyl)pyridazine-4-carboxamide
CID 103606420
3,6-dichloro-N-(3,6-dichloropyridazin-4-yl)pyridazine-4-carboxamide
CID 87380086
3,6-dichloro-N-(2-pyridin-3-ylethyl)pyridazine-4-carboxamide
CID 114038414
3,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridazine-4-carboxamide
CID 61221964
3,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridazine-4-carboxamide
CID 64929672
3,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridazine-4-carboxamide
CID 114038484
3,6-dichloro-N-[(4-methoxyphenyl)methyl]pyridazine-4-carboxamide
CID 103606489
3,6-dichloro-N-[(1-methylpyrrol-2-yl)methyl]pyridazine-4-carboxamide
CID 106415778
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dichloropyridazine-4-carboxamide
CID 114038502
3-[(3,6-dichloropyridazine-4-carbonyl)amino]-3-methylbutanoic acid
CID 64673044
5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 115532800
4,5-dicarbamoyl-2-(2-hydroxyethylcarbamoyl)benzoic acid
CID 70525857

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2-hydroxyethyl)pyridazine-4-carboxamide?
The IUPAC name of 3,6-dichloro-N-(2-hydroxyethyl)pyridazine-4-carboxamide (CID 43501013) is 3,6-dichloro-N-(2-hydroxyethyl)pyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(2-hydroxyethyl)pyridazine-4-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(2-hydroxyethyl)pyridazine-4-carboxamide is O=C(NCCO)c1cc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-(2-hydroxyethyl)pyridazine-4-carboxamide?
The InChIKey is NGXIFUDEPDQVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N3O2/c8-5-3-4(6(9)12-11-5)7(14)10-1-2-13/h3,13H,1-2H2,(H,10,14).
What are the key properties of 3,6-dichloro-N-(2-hydroxyethyl)pyridazine-4-carboxamide?
3,6-dichloro-N-(2-hydroxyethyl)pyridazine-4-carboxamide has a molecular weight of 236.06 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2-hydroxyethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 43501013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).