methyl 6-[(2-cyclopropyloxan-4-yl)amino]pyridazine-3-carboxylate

C14H19N3O3 — CID 133473769

IUPACmethyl 6-[(2-cyclopropyloxan-4-yl)amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2CCOC(C3CC3)C2)nn1
InChIInChI=1S/C14H19N3O3/c1-19-14(18)11-4-5-13(17-16-11)15-10-6-7-20-12(8-10)9-2-3-9/h4-5,9-10,12H,2-3,6-8H2,1H3,(H,15,17)
InChIKeyKEYIABPAQKBQMT-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.63
Rot. Bonds4

About methyl 6-[(2-cyclopropyloxan-4-yl)amino]pyridazine-3-carboxylate

methyl 6-[(2-cyclopropyloxan-4-yl)amino]pyridazine-3-carboxylate (PubChem CID 133473769) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 6-[(2-cyclopropyloxan-4-yl)amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2-cyclopropyloxan-4-yl)amino]pyridazine-3-carboxylate
PubChem CID133473769
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Namemethyl 6-[(2-cyclopropyloxan-4-yl)amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2CCOC(C3CC3)C2)nn1
InChIInChI=1S/C14H19N3O3/c1-19-14(18)11-4-5-13(17-16-11)15-10-6-7-20-12(8-10)9-2-3-9/h4-5,9-10,12H,2-3,6-8H2,1H3,(H,15,17)
InChIKeyKEYIABPAQKBQMT-UHFFFAOYSA-N
XLogP1.63
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-cyclopropyloxan-4-yl)amino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[(2-cyclopropyloxan-4-yl)amino]pyridazine-3-carboxylate (CID 133473769) is methyl 6-[(2-cyclopropyloxan-4-yl)amino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[(2-cyclopropyloxan-4-yl)amino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[(2-cyclopropyloxan-4-yl)amino]pyridazine-3-carboxylate is COC(=O)c1ccc(NC2CCOC(C3CC3)C2)nn1.
What is the InChIKey of methyl 6-[(2-cyclopropyloxan-4-yl)amino]pyridazine-3-carboxylate?
The InChIKey is KEYIABPAQKBQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-19-14(18)11-4-5-13(17-16-11)15-10-6-7-20-12(8-10)9-2-3-9/h4-5,9-10,12H,2-3,6-8H2,1H3,(H,15,17).
What are the key properties of methyl 6-[(2-cyclopropyloxan-4-yl)amino]pyridazine-3-carboxylate?
methyl 6-[(2-cyclopropyloxan-4-yl)amino]pyridazine-3-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-cyclopropyloxan-4-yl)amino]pyridazine-3-carboxylate is sourced from PubChem (CID 133473769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).