methyl 6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-3-carboxylate

C12H17N3O3 — CID 114749606

IUPACmethyl 6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCC2(CCO)CC2)nn1
InChIInChI=1S/C12H17N3O3/c1-18-11(17)9-2-3-10(15-14-9)13-8-12(4-5-12)6-7-16/h2-3,16H,4-8H2,1H3,(H,13,15)
InChIKeyALSQEZKGXVERII-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.84
Rot. Bonds6

About methyl 6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-3-carboxylate

methyl 6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-3-carboxylate (PubChem CID 114749606) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-3-carboxylate
PubChem CID114749606
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl 6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCC2(CCO)CC2)nn1
InChIInChI=1S/C12H17N3O3/c1-18-11(17)9-2-3-10(15-14-9)13-8-12(4-5-12)6-7-16/h2-3,16H,4-8H2,1H3,(H,13,15)
InChIKeyALSQEZKGXVERII-UHFFFAOYSA-N
XLogP0.84
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-3-carboxylate (CID 114749606) is methyl 6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-3-carboxylate is COC(=O)c1ccc(NCC2(CCO)CC2)nn1.
What is the InChIKey of methyl 6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-3-carboxylate?
The InChIKey is ALSQEZKGXVERII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-18-11(17)9-2-3-10(15-14-9)13-8-12(4-5-12)6-7-16/h2-3,16H,4-8H2,1H3,(H,13,15).
What are the key properties of methyl 6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-3-carboxylate?
methyl 6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-3-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-3-carboxylate is sourced from PubChem (CID 114749606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).