4-chloro-6-(cyclopropanecarbonylamino)pyridazine-3-carboxylic acid

C9H8ClN3O3 — CID 171437028

IUPAC4-chloro-6-(cyclopropanecarbonylamino)pyridazine-3-carboxylic acid
SMILESO=C(O)c1nnc(NC(=O)C2CC2)cc1Cl
InChIInChI=1S/C9H8ClN3O3/c10-5-3-6(11-8(14)4-1-2-4)12-13-7(5)9(15)16/h3-4H,1-2H2,(H,15,16)(H,11,12,14)
InChIKeyVWPGJLWDPDGDOM-UHFFFAOYSA-N
MW241.63 g/mol
LogP1.18
Rot. Bonds3

About 4-chloro-6-(cyclopropanecarbonylamino)pyridazine-3-carboxylic acid

4-chloro-6-(cyclopropanecarbonylamino)pyridazine-3-carboxylic acid (PubChem CID 171437028) has the molecular formula C9H8ClN3O3 and a molecular weight of 241.63 g/mol. Its IUPAC name is 4-chloro-6-(cyclopropanecarbonylamino)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-6-(cyclopropanecarbonylamino)pyridazine-3-carboxylic acid
PubChem CID171437028
Molecular FormulaC9H8ClN3O3
Molecular Weight241.63 g/mol
Exact Mass241.03
IUPAC Name4-chloro-6-(cyclopropanecarbonylamino)pyridazine-3-carboxylic acid
SMILESO=C(O)c1nnc(NC(=O)C2CC2)cc1Cl
InChIInChI=1S/C9H8ClN3O3/c10-5-3-6(11-8(14)4-1-2-4)12-13-7(5)9(15)16/h3-4H,1-2H2,(H,15,16)(H,11,12,14)
InChIKeyVWPGJLWDPDGDOM-UHFFFAOYSA-N
XLogP1.18
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.63
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3,4-dichloroanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113050746
4-amino-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide
CID 153055210
N-[5-(methylamino)-6-propanoylpyridazin-3-yl]cyclopropanecarboxamide
CID 177347902
6-(cyclopropanecarbonylamino)-4-ethenyl-N-methylpyridazine-3-carboxamide
CID 177347381
6-(cyclopropanecarbonylamino)-N-methyl-4-morpholin-4-ylpyridazine-3-carboxamide
CID 170919609
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)cyclopropanecarboxamide
CID 165132565
N-cyclobutyl-6-(cyclopropanecarbonylamino)-4-propan-2-ylpyridazine-3-carboxamide
CID 177347357
N-(2,6-dichloro-4-fluorophenyl)cyclopropanecarboxamide
CID 82889777
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
N-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]cyclopropanecarboxamide
CID 113043728
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113041596
N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 3121382

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(cyclopropanecarbonylamino)pyridazine-3-carboxylic acid?
The IUPAC name of 4-chloro-6-(cyclopropanecarbonylamino)pyridazine-3-carboxylic acid (CID 171437028) is 4-chloro-6-(cyclopropanecarbonylamino)pyridazine-3-carboxylic acid.
What is the SMILES notation for 4-chloro-6-(cyclopropanecarbonylamino)pyridazine-3-carboxylic acid?
The canonical SMILES for 4-chloro-6-(cyclopropanecarbonylamino)pyridazine-3-carboxylic acid is O=C(O)c1nnc(NC(=O)C2CC2)cc1Cl.
What is the InChIKey of 4-chloro-6-(cyclopropanecarbonylamino)pyridazine-3-carboxylic acid?
The InChIKey is VWPGJLWDPDGDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O3/c10-5-3-6(11-8(14)4-1-2-4)12-13-7(5)9(15)16/h3-4H,1-2H2,(H,15,16)(H,11,12,14).
What are the key properties of 4-chloro-6-(cyclopropanecarbonylamino)pyridazine-3-carboxylic acid?
4-chloro-6-(cyclopropanecarbonylamino)pyridazine-3-carboxylic acid has a molecular weight of 241.63 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(cyclopropanecarbonylamino)pyridazine-3-carboxylic acid is sourced from PubChem (CID 171437028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).