2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]acetic acid

C9H11N3O4 — CID 43170572

IUPAC2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]acetic acid
SMILESCc1n[nH]c(=O)c(C(=O)NCC(=O)O)c1C
InChIInChI=1S/C9H11N3O4/c1-4-5(2)11-12-9(16)7(4)8(15)10-3-6(13)14/h3H2,1-2H3,(H,10,15)(H,12,16)(H,13,14)
InChIKeyUQZQUBRULAINJQ-UHFFFAOYSA-N
MW225.20 g/mol
LogP-0.80
Rot. Bonds3

About 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]acetic acid

2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]acetic acid (PubChem CID 43170572) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]acetic acid
PubChem CID43170572
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]acetic acid
SMILESCc1n[nH]c(=O)c(C(=O)NCC(=O)O)c1C
InChIInChI=1S/C9H11N3O4/c1-4-5(2)11-12-9(16)7(4)8(15)10-3-6(13)14/h3H2,1-2H3,(H,10,15)(H,12,16)(H,13,14)
InChIKeyUQZQUBRULAINJQ-UHFFFAOYSA-N
XLogP-0.80
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]acetic acid (CID 43170572) is 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]acetic acid is Cc1n[nH]c(=O)c(C(=O)NCC(=O)O)c1C.
What is the InChIKey of 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]acetic acid?
The InChIKey is UQZQUBRULAINJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-4-5(2)11-12-9(16)7(4)8(15)10-3-6(13)14/h3H2,1-2H3,(H,10,15)(H,12,16)(H,13,14).
What are the key properties of 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]acetic acid?
2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]acetic acid has a molecular weight of 225.20 g/mol, XLogP of -0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 43170572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).