ethyl 2-[propan-2-yl(pyridazin-3-yl)amino]acetate

C11H17N3O2 — CID 114998997

IUPACethyl 2-[propan-2-yl(pyridazin-3-yl)amino]acetate
SMILESCCOC(=O)CN(c1cccnn1)C(C)C
InChIInChI=1S/C11H17N3O2/c1-4-16-11(15)8-14(9(2)3)10-6-5-7-12-13-10/h5-7,9H,4,8H2,1-3H3
InChIKeyDKGMLCMDFAOYOP-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.25
Rot. Bonds5

About ethyl 2-[propan-2-yl(pyridazin-3-yl)amino]acetate

ethyl 2-[propan-2-yl(pyridazin-3-yl)amino]acetate (PubChem CID 114998997) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is ethyl 2-[propan-2-yl(pyridazin-3-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[propan-2-yl(pyridazin-3-yl)amino]acetate
PubChem CID114998997
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Nameethyl 2-[propan-2-yl(pyridazin-3-yl)amino]acetate
SMILESCCOC(=O)CN(c1cccnn1)C(C)C
InChIInChI=1S/C11H17N3O2/c1-4-16-11(15)8-14(9(2)3)10-6-5-7-12-13-10/h5-7,9H,4,8H2,1-3H3
InChIKeyDKGMLCMDFAOYOP-UHFFFAOYSA-N
XLogP1.25
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(4-carbamothioyl-2-pyridinyl)-propan-2-ylamino]acetate
CID 55007460
ethyl 2-[(3-carbamothioylpyrazin-2-yl)-propan-2-ylamino]acetate
CID 62683273
ethyl 2-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 112550243
ethyl 2-[(3-methylquinoxalin-2-yl)-propan-2-ylamino]acetate
CID 62375691
ethyl 2-[(1-phenyltetrazol-5-yl)-propan-2-ylamino]acetate
CID 62007419
ethyl 2-[(3-bromo-4-pyridinyl)-propan-2-ylamino]acetate
CID 104779166
methyl 2-[(2-methoxy-2-oxoethyl)-pyridazin-3-ylamino]acetate
CID 94903520
ethyl 2-[imidazo[1,2-a]pyridin-5-yl(propan-2-yl)amino]acetate
CID 102626836
ethyl 3-oxo-3-pyridazin-3-ylpropanoate
CID 21327997
ethyl 2-[(4-cyano-6-methyl-2-pyridinyl)-propan-2-ylamino]acetate
CID 114766094
ethyl 2-[propan-2-yl(quinazolin-2-yl)amino]acetate
CID 114789698
ethyl 2-[(5-fluoropyrimidin-2-yl)-propan-2-ylamino]acetate
CID 104606558

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[propan-2-yl(pyridazin-3-yl)amino]acetate?
The IUPAC name of ethyl 2-[propan-2-yl(pyridazin-3-yl)amino]acetate (CID 114998997) is ethyl 2-[propan-2-yl(pyridazin-3-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[propan-2-yl(pyridazin-3-yl)amino]acetate?
The canonical SMILES for ethyl 2-[propan-2-yl(pyridazin-3-yl)amino]acetate is CCOC(=O)CN(c1cccnn1)C(C)C.
What is the InChIKey of ethyl 2-[propan-2-yl(pyridazin-3-yl)amino]acetate?
The InChIKey is DKGMLCMDFAOYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-16-11(15)8-14(9(2)3)10-6-5-7-12-13-10/h5-7,9H,4,8H2,1-3H3.
What are the key properties of ethyl 2-[propan-2-yl(pyridazin-3-yl)amino]acetate?
ethyl 2-[propan-2-yl(pyridazin-3-yl)amino]acetate has a molecular weight of 223.28 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[propan-2-yl(pyridazin-3-yl)amino]acetate is sourced from PubChem (CID 114998997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).