1-cyclopropyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]ethanamine

C18H23N5 — CID 126920097

IUPAC1-cyclopropyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]ethanamine
SMILESCC(NCC1CN(c2ccc(-c3ccncc3)nn2)C1)C1CC1
InChIInChI=1S/C18H23N5/c1-13(15-2-3-15)20-10-14-11-23(12-14)18-5-4-17(21-22-18)16-6-8-19-9-7-16/h4-9,13-15,20H,2-3,10-12H2,1H3
InChIKeyROWMRMNBPDGAED-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.36
Rot. Bonds6

About 1-cyclopropyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]ethanamine

1-cyclopropyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]ethanamine (PubChem CID 126920097) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]ethanamine
PubChem CID126920097
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name1-cyclopropyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]ethanamine
SMILESCC(NCC1CN(c2ccc(-c3ccncc3)nn2)C1)C1CC1
InChIInChI=1S/C18H23N5/c1-13(15-2-3-15)20-10-14-11-23(12-14)18-5-4-17(21-22-18)16-6-8-19-9-7-16/h4-9,13-15,20H,2-3,10-12H2,1H3
InChIKeyROWMRMNBPDGAED-UHFFFAOYSA-N
XLogP2.36
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyrimidin-2-amine
CID 126920018
6-methyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyridazin-3-amine
CID 126920030
1-cyclopropyl-N-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]ethanamine
CID 126921642
2-(2-methyl-1,3-thiazol-5-yl)-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide
CID 126919980
N-[[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1-cyclopropylethanamine
CID 126922055
1-methyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]piperidine-3-carboxamide
CID 126919959
2,4-dimethyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 126919925
N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]morpholine-4-sulfonamide
CID 126920005
N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide
CID 126919969
5,6-dimethyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine
CID 126920177
6-pyrazol-1-yl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine
CID 126920140
3-methyl-2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one
CID 126920179

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]ethanamine (CID 126920097) is 1-cyclopropyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]ethanamine is CC(NCC1CN(c2ccc(-c3ccncc3)nn2)C1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]ethanamine?
The InChIKey is ROWMRMNBPDGAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-13(15-2-3-15)20-10-14-11-23(12-14)18-5-4-17(21-22-18)16-6-8-19-9-7-16/h4-9,13-15,20H,2-3,10-12H2,1H3.
What are the key properties of 1-cyclopropyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]ethanamine?
1-cyclopropyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]ethanamine has a molecular weight of 309.42 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 126920097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).