methyl 5-aminopyridazine-3-carboxylate

C6H7N3O2 — CID 131477264

IUPACmethyl 5-aminopyridazine-3-carboxylate
SMILESCOC(=O)c1cc(N)cnn1
InChIInChI=1S/C6H7N3O2/c1-11-6(10)5-2-4(7)3-8-9-5/h2-3H,1H3,(H2,7,9)
InChIKeyABOWKWDDOJRECS-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.15
Rot. Bonds1

About methyl 5-aminopyridazine-3-carboxylate

methyl 5-aminopyridazine-3-carboxylate (PubChem CID 131477264) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is methyl 5-aminopyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-aminopyridazine-3-carboxylate
PubChem CID131477264
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Namemethyl 5-aminopyridazine-3-carboxylate
SMILESCOC(=O)c1cc(N)cnn1
InChIInChI=1S/C6H7N3O2/c1-11-6(10)5-2-4(7)3-8-9-5/h2-3H,1H3,(H2,7,9)
InChIKeyABOWKWDDOJRECS-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

Methyl pyridazine-3-carboxylate
CID 13011730
Methyl 5-chloropyridazine-3-carboxylate
CID 131699995
Ethyl pyridazine-3-carboxylate
CID 14452007
Methyl 5-bromopyridazine-3-carboxylate
CID 119024285
Lithium(1+) 5-(methylamino)pyridazine-3-carboxylate
CID 165991149
4-Aminopyridazine-3-carboxylic acid
CID 6402483
Trifluoromethyl pyridazine-3-carboxylate
CID 144580848
Methyl 5-(trifluoromethyl)pyridazine-3-carboxylate
CID 168431597
Methyl 1-oxidopyridazin-1-ium-3-carboxylate
CID 21817218
6-(2-Methylpropyl)pyridazino[4,3-d][1,3]oxazin-8-one
CID 22172589
Ethyl 4-aminopyridazine-3-carboxylate
CID 45082617
Ethyl 5-aminopyridazine-3-carboxylate
CID 58897536

Frequently Asked Questions

What is the IUPAC name of methyl 5-aminopyridazine-3-carboxylate?
The IUPAC name of methyl 5-aminopyridazine-3-carboxylate (CID 131477264) is methyl 5-aminopyridazine-3-carboxylate.
What is the SMILES notation for methyl 5-aminopyridazine-3-carboxylate?
The canonical SMILES for methyl 5-aminopyridazine-3-carboxylate is COC(=O)c1cc(N)cnn1.
What is the InChIKey of methyl 5-aminopyridazine-3-carboxylate?
The InChIKey is ABOWKWDDOJRECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c1-11-6(10)5-2-4(7)3-8-9-5/h2-3H,1H3,(H2,7,9).
What are the key properties of methyl 5-aminopyridazine-3-carboxylate?
methyl 5-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 5-aminopyridazine-3-carboxylate is sourced from PubChem (CID 131477264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).