4-chloro-N-(2-cyclopropylethyl)pyridazine-3-carboxamide

C10H12ClN3O — CID 141106877

IUPAC4-chloro-N-(2-cyclopropylethyl)pyridazine-3-carboxamide
SMILESO=C(NCCC1CC1)c1nnccc1Cl
InChIInChI=1S/C10H12ClN3O/c11-8-4-6-13-14-9(8)10(15)12-5-3-7-1-2-7/h4,6-7H,1-3,5H2,(H,12,15)
InChIKeyXXFPSDMEURRGGI-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.66
Rot. Bonds4

About 4-chloro-N-(2-cyclopropylethyl)pyridazine-3-carboxamide

4-chloro-N-(2-cyclopropylethyl)pyridazine-3-carboxamide (PubChem CID 141106877) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 4-chloro-N-(2-cyclopropylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-cyclopropylethyl)pyridazine-3-carboxamide
PubChem CID141106877
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name4-chloro-N-(2-cyclopropylethyl)pyridazine-3-carboxamide
SMILESO=C(NCCC1CC1)c1nnccc1Cl
InChIInChI=1S/C10H12ClN3O/c11-8-4-6-13-14-9(8)10(15)12-5-3-7-1-2-7/h4,6-7H,1-3,5H2,(H,12,15)
InChIKeyXXFPSDMEURRGGI-UHFFFAOYSA-N
XLogP1.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-ethylpyridazine-3-carboxamide
CID 60859181
6-chloro-N-(propan-2-yl)pyridazine-3-carboxamide
CID 17906937
6-Chloro-N-(2-cyclopropylethyl)pyridazine-3-carboxamide
CID 65561565
N-tert-butyl-6-chloropyridazine-3-carboxamide
CID 12059835
N-(2,2-difluoroethyl)pyridazine-3-carboxamide
CID 141460602
N-[1-(trifluoromethyl)cyclopropyl]pyridazine-3-carboxamide
CID 172707047
N-(1,1,1-trifluoropropan-2-yl)pyridazine-3-carboxamide
CID 175698751
4,6-dichloro-N-(2,2-difluoroethyl)pyridazine-3-carboxamide
CID 177044615
6-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide
CID 61051327
6-chloro-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide
CID 63226741
6-chloro-N-(4,4,4-trifluorobutan-2-yl)pyridazine-3-carboxamide
CID 105933509
6-chloro-N-(5,5,5-trifluoropentyl)pyridazine-3-carboxamide
CID 113327258

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-cyclopropylethyl)pyridazine-3-carboxamide?
The IUPAC name of 4-chloro-N-(2-cyclopropylethyl)pyridazine-3-carboxamide (CID 141106877) is 4-chloro-N-(2-cyclopropylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-cyclopropylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(2-cyclopropylethyl)pyridazine-3-carboxamide is O=C(NCCC1CC1)c1nnccc1Cl.
What is the InChIKey of 4-chloro-N-(2-cyclopropylethyl)pyridazine-3-carboxamide?
The InChIKey is XXFPSDMEURRGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c11-8-4-6-13-14-9(8)10(15)12-5-3-7-1-2-7/h4,6-7H,1-3,5H2,(H,12,15).
What are the key properties of 4-chloro-N-(2-cyclopropylethyl)pyridazine-3-carboxamide?
4-chloro-N-(2-cyclopropylethyl)pyridazine-3-carboxamide has a molecular weight of 225.68 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-cyclopropylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 141106877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).