ethyl 2-[methyl-(4-methylphthalazin-1-yl)amino]acetate

C14H17N3O2 — CID 62005398

IUPACethyl 2-[methyl-(4-methylphthalazin-1-yl)amino]acetate
SMILESCCOC(=O)CN(C)c1nnc(C)c2ccccc12
InChIInChI=1S/C14H17N3O2/c1-4-19-13(18)9-17(3)14-12-8-6-5-7-11(12)10(2)15-16-14/h5-8H,4,9H2,1-3H3
InChIKeyRLZLIWKWOFBQLO-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.94
Rot. Bonds4

About ethyl 2-[methyl-(4-methylphthalazin-1-yl)amino]acetate

ethyl 2-[methyl-(4-methylphthalazin-1-yl)amino]acetate (PubChem CID 62005398) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 2-[methyl-(4-methylphthalazin-1-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-(4-methylphthalazin-1-yl)amino]acetate
PubChem CID62005398
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Nameethyl 2-[methyl-(4-methylphthalazin-1-yl)amino]acetate
SMILESCCOC(=O)CN(C)c1nnc(C)c2ccccc12
InChIInChI=1S/C14H17N3O2/c1-4-19-13(18)9-17(3)14-12-8-6-5-7-11(12)10(2)15-16-14/h5-8H,4,9H2,1-3H3
InChIKeyRLZLIWKWOFBQLO-UHFFFAOYSA-N
XLogP1.94
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[methyl(quinazolin-4-yl)amino]acetate
CID 62006339
ethyl 2-[(3-chloro-2-pyridinyl)-methylamino]acetate
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N-[(4-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine
CID 60875525
ethyl 2-[(3-carbamothioylpyrazin-2-yl)-methylamino]acetate
CID 55103429
ethyl 2-[methyl-(3-methylsulfonyl-2-pyridinyl)amino]acetate
CID 114599518
ethyl 2-[methyl-(3-propan-2-yloxy-2-pyridinyl)amino]acetate
CID 113371239
4-[ethyl(methyl)amino]phthalazine-1-carboxylic acid
CID 42878221
ethyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)-methylamino]acetate
CID 66327197
ethyl 2-(4-bromo-N-methylanilino)acetate
CID 102265686
ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]acetate
CID 79718647
ethyl 2-[methyl-(4-methylpyrimidin-2-yl)amino]acetate
CID 62958932
methyl 6-[(2-ethoxy-2-oxoethyl)-methylamino]pyridazine-3-carboxylate
CID 62006338

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-(4-methylphthalazin-1-yl)amino]acetate?
The IUPAC name of ethyl 2-[methyl-(4-methylphthalazin-1-yl)amino]acetate (CID 62005398) is ethyl 2-[methyl-(4-methylphthalazin-1-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-(4-methylphthalazin-1-yl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl-(4-methylphthalazin-1-yl)amino]acetate is CCOC(=O)CN(C)c1nnc(C)c2ccccc12.
What is the InChIKey of ethyl 2-[methyl-(4-methylphthalazin-1-yl)amino]acetate?
The InChIKey is RLZLIWKWOFBQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-4-19-13(18)9-17(3)14-12-8-6-5-7-11(12)10(2)15-16-14/h5-8H,4,9H2,1-3H3.
What are the key properties of ethyl 2-[methyl-(4-methylphthalazin-1-yl)amino]acetate?
ethyl 2-[methyl-(4-methylphthalazin-1-yl)amino]acetate has a molecular weight of 259.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-(4-methylphthalazin-1-yl)amino]acetate is sourced from PubChem (CID 62005398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).