methyl 2-[propan-2-yl(pyridazine-4-carbonyl)amino]acetate

C11H15N3O3 — CID 112706645

IUPACmethyl 2-[propan-2-yl(pyridazine-4-carbonyl)amino]acetate
SMILESCOC(=O)CN(C(=O)c1ccnnc1)C(C)C
InChIInChI=1S/C11H15N3O3/c1-8(2)14(7-10(15)17-3)11(16)9-4-5-12-13-6-9/h4-6,8H,7H2,1-3H3
InChIKeyVBFXDNLTPBBCTN-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.50
Rot. Bonds4

About methyl 2-[propan-2-yl(pyridazine-4-carbonyl)amino]acetate

methyl 2-[propan-2-yl(pyridazine-4-carbonyl)amino]acetate (PubChem CID 112706645) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is methyl 2-[propan-2-yl(pyridazine-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[propan-2-yl(pyridazine-4-carbonyl)amino]acetate
PubChem CID112706645
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Namemethyl 2-[propan-2-yl(pyridazine-4-carbonyl)amino]acetate
SMILESCOC(=O)CN(C(=O)c1ccnnc1)C(C)C
InChIInChI=1S/C11H15N3O3/c1-8(2)14(7-10(15)17-3)11(16)9-4-5-12-13-6-9/h4-6,8H,7H2,1-3H3
InChIKeyVBFXDNLTPBBCTN-UHFFFAOYSA-N
XLogP0.50
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[propan-2-yl(pyridazine-4-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[propan-2-yl(pyridazine-4-carbonyl)amino]acetate (CID 112706645) is methyl 2-[propan-2-yl(pyridazine-4-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[propan-2-yl(pyridazine-4-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[propan-2-yl(pyridazine-4-carbonyl)amino]acetate is COC(=O)CN(C(=O)c1ccnnc1)C(C)C.
What is the InChIKey of methyl 2-[propan-2-yl(pyridazine-4-carbonyl)amino]acetate?
The InChIKey is VBFXDNLTPBBCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8(2)14(7-10(15)17-3)11(16)9-4-5-12-13-6-9/h4-6,8H,7H2,1-3H3.
What are the key properties of methyl 2-[propan-2-yl(pyridazine-4-carbonyl)amino]acetate?
methyl 2-[propan-2-yl(pyridazine-4-carbonyl)amino]acetate has a molecular weight of 237.26 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propan-2-yl(pyridazine-4-carbonyl)amino]acetate is sourced from PubChem (CID 112706645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).