2-[1-[(6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid

C10H12N2O3 — CID 65498245

IUPAC2-[1-[(6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(Cn2ncccc2=O)CC1
InChIInChI=1S/C10H12N2O3/c13-8-2-1-5-11-12(8)7-10(3-4-10)6-9(14)15/h1-2,5H,3-4,6-7H2,(H,14,15)
InChIKeyKECCSCYEXPUGTD-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.50
Rot. Bonds4

About 2-[1-[(6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid

2-[1-[(6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid (PubChem CID 65498245) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-[1-[(6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid
PubChem CID65498245
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-[1-[(6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(Cn2ncccc2=O)CC1
InChIInChI=1S/C10H12N2O3/c13-8-2-1-5-11-12(8)7-10(3-4-10)6-9(14)15/h1-2,5H,3-4,6-7H2,(H,14,15)
InChIKeyKECCSCYEXPUGTD-UHFFFAOYSA-N
XLogP0.50
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid (CID 65498245) is 2-[1-[(6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid is O=C(O)CC1(Cn2ncccc2=O)CC1.
What is the InChIKey of 2-[1-[(6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid?
The InChIKey is KECCSCYEXPUGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-8-2-1-5-11-12(8)7-10(3-4-10)6-9(14)15/h1-2,5H,3-4,6-7H2,(H,14,15).
What are the key properties of 2-[1-[(6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid?
2-[1-[(6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid has a molecular weight of 208.22 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65498245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).