2-[1-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]cyclopropyl]acetic acid

C10H12N2O4 — CID 65496126

IUPAC2-[1-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(Cn2[nH]c(=O)ccc2=O)CC1
InChIInChI=1S/C10H12N2O4/c13-7-1-2-8(14)12(11-7)6-10(3-4-10)5-9(15)16/h1-2H,3-6H2,(H,11,13)(H,15,16)
InChIKeySWIXWGKYWFSNFQ-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.21
Rot. Bonds4

About 2-[1-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]cyclopropyl]acetic acid

2-[1-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]cyclopropyl]acetic acid (PubChem CID 65496126) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-[1-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]cyclopropyl]acetic acid
PubChem CID65496126
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2-[1-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(Cn2[nH]c(=O)ccc2=O)CC1
InChIInChI=1S/C10H12N2O4/c13-7-1-2-8(14)12(11-7)6-10(3-4-10)5-9(15)16/h1-2H,3-6H2,(H,11,13)(H,15,16)
InChIKeySWIXWGKYWFSNFQ-UHFFFAOYSA-N
XLogP-0.21
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]cyclopropyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,6-dioxo-1H-pyridazin-2-yl)butanoic acid
CID 20119325
4-(3,6-dioxo-1H-pyridazin-2-yl)-2,2-dimethylbutanoic acid
CID 65248241
2-[1-[(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)methyl]cyclopropyl]acetic acid
CID 65496549

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]cyclopropyl]acetic acid (CID 65496126) is 2-[1-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]cyclopropyl]acetic acid is O=C(O)CC1(Cn2[nH]c(=O)ccc2=O)CC1.
What is the InChIKey of 2-[1-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]cyclopropyl]acetic acid?
The InChIKey is SWIXWGKYWFSNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c13-7-1-2-8(14)12(11-7)6-10(3-4-10)5-9(15)16/h1-2H,3-6H2,(H,11,13)(H,15,16).
What are the key properties of 2-[1-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]cyclopropyl]acetic acid?
2-[1-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]cyclopropyl]acetic acid has a molecular weight of 224.22 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65496126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).