(3-amino-3-ethylazetidin-1-yl)-pyridazin-4-ylmethanone

C10H14N4O — CID 104672866

IUPAC(3-amino-3-ethylazetidin-1-yl)-pyridazin-4-ylmethanone
SMILESCCC1(N)CN(C(=O)c2ccnnc2)C1
InChIInChI=1S/C10H14N4O/c1-2-10(11)6-14(7-10)9(15)8-3-4-12-13-5-8/h3-5H,2,6-7,11H2,1H3
InChIKeyXKLHLURTDLFJBX-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.04
Rot. Bonds2

About (3-amino-3-ethylazetidin-1-yl)-pyridazin-4-ylmethanone

(3-amino-3-ethylazetidin-1-yl)-pyridazin-4-ylmethanone (PubChem CID 104672866) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is (3-amino-3-ethylazetidin-1-yl)-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name(3-amino-3-ethylazetidin-1-yl)-pyridazin-4-ylmethanone
PubChem CID104672866
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name(3-amino-3-ethylazetidin-1-yl)-pyridazin-4-ylmethanone
SMILESCCC1(N)CN(C(=O)c2ccnnc2)C1
InChIInChI=1S/C10H14N4O/c1-2-10(11)6-14(7-10)9(15)8-3-4-12-13-5-8/h3-5H,2,6-7,11H2,1H3
InChIKeyXKLHLURTDLFJBX-UHFFFAOYSA-N
XLogP0.04
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-3-ethylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512261
(3-amino-3-ethylazetidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 116629412
(4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone
CID 146084360
(4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 112702155
morpholin-4-yl(pyridazin-4-yl)methanone
CID 115736040
ethyl pyridazine-4-carboxylate;hydron
CID 174586916
(4-hydroxy-4-methylazepan-1-yl)-pyridazin-4-ylmethanone
CID 107405992
[4-(propylamino)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104668815
[4-(4-aminobutyl)piperazin-1-yl]-pyridazin-4-ylmethanone
CID 104668899
2-phenyl-1-[4-(pyridazine-4-carbonyl)piperazin-1-yl]ethanone
CID 136517874
pyridazine-4-carboxamide
CID 10920505
2-[4-(pyridazine-4-carbonyl)piperazin-1-yl]pentanethioamide
CID 104670470

Frequently Asked Questions

What is the IUPAC name of (3-amino-3-ethylazetidin-1-yl)-pyridazin-4-ylmethanone?
The IUPAC name of (3-amino-3-ethylazetidin-1-yl)-pyridazin-4-ylmethanone (CID 104672866) is (3-amino-3-ethylazetidin-1-yl)-pyridazin-4-ylmethanone.
What is the SMILES notation for (3-amino-3-ethylazetidin-1-yl)-pyridazin-4-ylmethanone?
The canonical SMILES for (3-amino-3-ethylazetidin-1-yl)-pyridazin-4-ylmethanone is CCC1(N)CN(C(=O)c2ccnnc2)C1.
What is the InChIKey of (3-amino-3-ethylazetidin-1-yl)-pyridazin-4-ylmethanone?
The InChIKey is XKLHLURTDLFJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-2-10(11)6-14(7-10)9(15)8-3-4-12-13-5-8/h3-5H,2,6-7,11H2,1H3.
What are the key properties of (3-amino-3-ethylazetidin-1-yl)-pyridazin-4-ylmethanone?
(3-amino-3-ethylazetidin-1-yl)-pyridazin-4-ylmethanone has a molecular weight of 206.25 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-ethylazetidin-1-yl)-pyridazin-4-ylmethanone is sourced from PubChem (CID 104672866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).