methyl 4-aminopyridazine-3-carboxylate

C6H7N3O2 — CID 166610770

IUPACmethyl 4-aminopyridazine-3-carboxylate
SMILESCOC(=O)c1nnccc1N
InChIInChI=1S/C6H7N3O2/c1-11-6(10)5-4(7)2-3-8-9-5/h2-3H,1H3,(H2,7,8)
InChIKeySTMSUSWVDPWOAQ-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.15
Rot. Bonds1

About methyl 4-aminopyridazine-3-carboxylate

methyl 4-aminopyridazine-3-carboxylate (PubChem CID 166610770) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is methyl 4-aminopyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-aminopyridazine-3-carboxylate
PubChem CID166610770
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Namemethyl 4-aminopyridazine-3-carboxylate
SMILESCOC(=O)c1nnccc1N
InChIInChI=1S/C6H7N3O2/c1-11-6(10)5-4(7)2-3-8-9-5/h2-3H,1H3,(H2,7,8)
InChIKeySTMSUSWVDPWOAQ-UHFFFAOYSA-N
XLogP-0.15
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

chloro 4-aminopyridazine-3-carboxylate;N-methylmethanamine
CID 69090381
ethane;methyl 3-aminopyridine-2-carboxylate
CID 168887245
methyl 3-amino-6-methoxypyridine-2-carboxylate;hydrochloride
CID 71544878
methyl 3-amino-6-(trifluoromethyl)pyridine-2-carboxylate
CID 53417431
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
2-chloro-3-methylpyridin-4-amine;methyl 4-amino-3-methylpyridine-2-carboxylate
CID 165095154
methyl 3-amino-6-(methoxymethyl)pyridine-2-carboxylate
CID 70098483
methyl 3-amino-4-methoxypyridine-2-carboxylate
CID 146485180
methyl 3-amino-6-(methylsulfamoyl)pyridine-2-carboxylate
CID 177315632
methyl 3-amino-1,2,4-triazine-5-carboxylate
CID 105430024
methyl cinnoline-5-carboxylate
CID 133080936
methyl cinnoline-8-carboxylate
CID 133080920

Frequently Asked Questions

What is the IUPAC name of methyl 4-aminopyridazine-3-carboxylate?
The IUPAC name of methyl 4-aminopyridazine-3-carboxylate (CID 166610770) is methyl 4-aminopyridazine-3-carboxylate.
What is the SMILES notation for methyl 4-aminopyridazine-3-carboxylate?
The canonical SMILES for methyl 4-aminopyridazine-3-carboxylate is COC(=O)c1nnccc1N.
What is the InChIKey of methyl 4-aminopyridazine-3-carboxylate?
The InChIKey is STMSUSWVDPWOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c1-11-6(10)5-4(7)2-3-8-9-5/h2-3H,1H3,(H2,7,8).
What are the key properties of methyl 4-aminopyridazine-3-carboxylate?
methyl 4-aminopyridazine-3-carboxylate has a molecular weight of 153.14 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-aminopyridazine-3-carboxylate is sourced from PubChem (CID 166610770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).