2-[1-[(4-methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid

C11H14N2O3 — CID 106549146

IUPAC2-[1-[(4-methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid
SMILESCc1cnn(CC2(CC(=O)O)CC2)c(=O)c1
InChIInChI=1S/C11H14N2O3/c1-8-4-9(14)13(12-6-8)7-11(2-3-11)5-10(15)16/h4,6H,2-3,5,7H2,1H3,(H,15,16)
InChIKeyRQMYBAXJQLSTCC-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.81
Rot. Bonds4

About 2-[1-[(4-methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid

2-[1-[(4-methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid (PubChem CID 106549146) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-[1-[(4-methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid
PubChem CID106549146
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-[1-[(4-methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid
SMILESCc1cnn(CC2(CC(=O)O)CC2)c(=O)c1
InChIInChI=1S/C11H14N2O3/c1-8-4-9(14)13(12-6-8)7-11(2-3-11)5-10(15)16/h4,6H,2-3,5,7H2,1H3,(H,15,16)
InChIKeyRQMYBAXJQLSTCC-UHFFFAOYSA-N
XLogP0.81
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-Dimethyl-4-(6-oxopyridazin-1-yl)butanoic acid
CID 65248080
2-[1-[(6-Oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid
CID 65498245
4-(4-Methyl-6-oxopyridazin-1-yl)pentanoic acid
CID 106548395
2-Cyclopropyl-2-(4-methyl-6-oxopyridazin-1-yl)acetic acid
CID 106548397
4-(4-Methyl-6-oxopyridazin-1-yl)butanoic acid
CID 106548419
2,2-Dimethyl-4-(4-methyl-6-oxopyridazin-1-yl)butanoic acid
CID 106549135
2,2-Dimethyl-5-(4-methyl-6-oxopyridazin-1-yl)pentanoic acid
CID 106549139
2,2-Dimethyl-6-(4-methyl-6-oxopyridazin-1-yl)hexanoic acid
CID 106714219
2-[1-[[4-(Dimethylamino)-6-oxopyridazin-1-yl]methyl]cyclopropyl]acetic acid
CID 114398022
2-[1-[[4-[Ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]cyclopropyl]acetic acid
CID 114398129
2-[1-[[4-(Diethylamino)-6-oxopyridazin-1-yl]methyl]cyclopropyl]acetic acid
CID 114398152
2-[1-[[4-[Methyl(propyl)amino]-6-oxopyridazin-1-yl]methyl]cyclopropyl]acetic acid
CID 114398205

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(4-methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid (CID 106549146) is 2-[1-[(4-methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(4-methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid is Cc1cnn(CC2(CC(=O)O)CC2)c(=O)c1.
What is the InChIKey of 2-[1-[(4-methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid?
The InChIKey is RQMYBAXJQLSTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8-4-9(14)13(12-6-8)7-11(2-3-11)5-10(15)16/h4,6H,2-3,5,7H2,1H3,(H,15,16).
What are the key properties of 2-[1-[(4-methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid?
2-[1-[(4-methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid has a molecular weight of 222.24 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methyl-6-oxopyridazin-1-yl)methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 106549146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).