2-(pyridazin-3-ylamino)ethyl pyridine-2-carboxylate

C12H12N4O2 — CID 71973059

IUPAC2-(pyridazin-3-ylamino)ethyl pyridine-2-carboxylate
SMILESO=C(OCCNc1cccnn1)c1ccccn1
InChIInChI=1S/C12H12N4O2/c17-12(10-4-1-2-6-13-10)18-9-8-14-11-5-3-7-15-16-11/h1-7H,8-9H2,(H,14,16)
InChIKeyNADJIYFOZAPVLM-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.14
Rot. Bonds5

About 2-(pyridazin-3-ylamino)ethyl pyridine-2-carboxylate

2-(pyridazin-3-ylamino)ethyl pyridine-2-carboxylate (PubChem CID 71973059) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-(pyridazin-3-ylamino)ethyl pyridine-2-carboxylate.

Molecular Properties

Compound Name2-(pyridazin-3-ylamino)ethyl pyridine-2-carboxylate
PubChem CID71973059
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name2-(pyridazin-3-ylamino)ethyl pyridine-2-carboxylate
SMILESO=C(OCCNc1cccnn1)c1ccccn1
InChIInChI=1S/C12H12N4O2/c17-12(10-4-1-2-6-13-10)18-9-8-14-11-5-3-7-15-16-11/h1-7H,8-9H2,(H,14,16)
InChIKeyNADJIYFOZAPVLM-UHFFFAOYSA-N
XLogP1.14
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)ethyl pyridine-2-carboxylate
CID 23103066
2-acetamidoethyl pyridine-2-carboxylate
CID 141131382
2-(pyridin-2-ylamino)ethyl hydrogen carbonate
CID 91086886
2-[(6-phenylpyridazin-3-yl)amino]ethyl 1,3-thiazole-4-carboxylate
CID 71973721
2-trimethoxysilylethyl pyridine-2-carboxylate
CID 68835998
methyl 3-(pyridazin-3-ylamino)propanoate
CID 62482435
ethyl pyridine-2-carboxylate
CID 17307
(2-hydroxyethylamino)methyl pyridine-2-carboxylate
CID 142799656
2-(pyridin-2-ylamino)ethyl 2-phenylacetate
CID 58460517
tert-butyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate
CID 115657296
4-(1,3-dioxoisoindol-2-yl)butyl pyridine-2-carboxylate
CID 18074643
2-[2-(pyridazin-3-ylamino)ethyl]guanidine
CID 130785372

Frequently Asked Questions

What is the IUPAC name of 2-(pyridazin-3-ylamino)ethyl pyridine-2-carboxylate?
The IUPAC name of 2-(pyridazin-3-ylamino)ethyl pyridine-2-carboxylate (CID 71973059) is 2-(pyridazin-3-ylamino)ethyl pyridine-2-carboxylate.
What is the SMILES notation for 2-(pyridazin-3-ylamino)ethyl pyridine-2-carboxylate?
The canonical SMILES for 2-(pyridazin-3-ylamino)ethyl pyridine-2-carboxylate is O=C(OCCNc1cccnn1)c1ccccn1.
What is the InChIKey of 2-(pyridazin-3-ylamino)ethyl pyridine-2-carboxylate?
The InChIKey is NADJIYFOZAPVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c17-12(10-4-1-2-6-13-10)18-9-8-14-11-5-3-7-15-16-11/h1-7H,8-9H2,(H,14,16).
What are the key properties of 2-(pyridazin-3-ylamino)ethyl pyridine-2-carboxylate?
2-(pyridazin-3-ylamino)ethyl pyridine-2-carboxylate has a molecular weight of 244.25 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridazin-3-ylamino)ethyl pyridine-2-carboxylate is sourced from PubChem (CID 71973059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).