2-(pyridazin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid

C9H9N3O3 — CID 116786343

IUPAC2-(pyridazin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)Nc1cccnn1
InChIInChI=1S/C9H9N3O3/c13-8(5-4-6(5)9(14)15)11-7-2-1-3-10-12-7/h1-3,5-6H,4H2,(H,14,15)(H,11,12,13)
InChIKeyFDTJUGPPCDYLSM-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.14
Rot. Bonds3

About 2-(pyridazin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid

2-(pyridazin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 116786343) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-(pyridazin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(pyridazin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID116786343
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name2-(pyridazin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)Nc1cccnn1
InChIInChI=1S/C9H9N3O3/c13-8(5-4-6(5)9(14)15)11-7-2-1-3-10-12-7/h1-3,5-6H,4H2,(H,14,15)(H,11,12,13)
InChIKeyFDTJUGPPCDYLSM-UHFFFAOYSA-N
XLogP0.14
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,2S)-2-(pyridin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93346846
pyridazin-3-ylurea
CID 13080987
(2R)-N-pyridazin-3-ylpyrrolidine-2-carboxamide
CID 104901521
2-[[4-(carbamoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868238
N-pyridazin-3-ylazepane-2-carboxamide
CID 116786808
N-pyridazin-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901781
2-[[2-(triazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941818
N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 116786757
5-(aminomethyl)-N-pyridazin-3-yloxolane-2-carboxamide
CID 116786747
4-ethyl-2-[(6-methyl-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114931912
N-pyridazin-3-ylprop-2-enamide
CID 116786507
cis-(1R,2S)-2-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 756841

Frequently Asked Questions

What is the IUPAC name of 2-(pyridazin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(pyridazin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid (CID 116786343) is 2-(pyridazin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(pyridazin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(pyridazin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)Nc1cccnn1.
What is the InChIKey of 2-(pyridazin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is FDTJUGPPCDYLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c13-8(5-4-6(5)9(14)15)11-7-2-1-3-10-12-7/h1-3,5-6H,4H2,(H,14,15)(H,11,12,13).
What are the key properties of 2-(pyridazin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid?
2-(pyridazin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 207.19 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridazin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116786343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).