4-amino-3-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-5-nitrosobenzonitrile

C15H19N5O2 — CID 163793774

IUPAC4-amino-3-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-5-nitrosobenzonitrile
SMILESN#Cc1cc(N=O)c(N)c(N2CC(CN3CCOCC3)C2)c1
InChIInChI=1S/C15H19N5O2/c16-7-11-5-13(18-21)15(17)14(6-11)20-9-12(10-20)8-19-1-3-22-4-2-19/h5-6,12H,1-4,8-10,17H2
InChIKeyJQYZMVZMSWPXMT-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.31
Rot. Bonds4

About 4-amino-3-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-5-nitrosobenzonitrile

4-amino-3-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-5-nitrosobenzonitrile (PubChem CID 163793774) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-amino-3-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-5-nitrosobenzonitrile.

Molecular Properties

Compound Name4-amino-3-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-5-nitrosobenzonitrile
PubChem CID163793774
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name4-amino-3-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-5-nitrosobenzonitrile
SMILESN#Cc1cc(N=O)c(N)c(N2CC(CN3CCOCC3)C2)c1
InChIInChI=1S/C15H19N5O2/c16-7-11-5-13(18-21)15(17)14(6-11)20-9-12(10-20)8-19-1-3-22-4-2-19/h5-6,12H,1-4,8-10,17H2
InChIKeyJQYZMVZMSWPXMT-UHFFFAOYSA-N
XLogP1.31
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazol-6-yl]benzonitrile
CID 123996484
5-amino-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]benzonitrile
CID 22228094
6-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 95624717
2-methyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 154757689
2-chloro-4-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]benzonitrile
CID 71996072
5-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1-methylpyrrole-3-carbonitrile
CID 72842351
N'-[(5-cyano-2-fluorophenyl)methyl]-N-ethyl-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111997934
4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine
CID 133302102
3,5-difluoro-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]benzonitrile
CID 51101987
[[amino-[4-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-2,1,3-benzoxadiazol-6-yl]methylidene]amino] 3,3,3-trifluoro-2-hydroxypropanoate
CID 154033374
3-amino-4-(3-ethylazetidin-1-yl)benzonitrile
CID 79687962
1-[3-(morpholin-4-ylmethyl)azetidin-1-yl]ethanone
CID 130138001

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-5-nitrosobenzonitrile?
The IUPAC name of 4-amino-3-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-5-nitrosobenzonitrile (CID 163793774) is 4-amino-3-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-5-nitrosobenzonitrile.
What is the SMILES notation for 4-amino-3-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-5-nitrosobenzonitrile?
The canonical SMILES for 4-amino-3-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-5-nitrosobenzonitrile is N#Cc1cc(N=O)c(N)c(N2CC(CN3CCOCC3)C2)c1.
What is the InChIKey of 4-amino-3-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-5-nitrosobenzonitrile?
The InChIKey is JQYZMVZMSWPXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c16-7-11-5-13(18-21)15(17)14(6-11)20-9-12(10-20)8-19-1-3-22-4-2-19/h5-6,12H,1-4,8-10,17H2.
What are the key properties of 4-amino-3-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-5-nitrosobenzonitrile?
4-amino-3-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-5-nitrosobenzonitrile has a molecular weight of 301.35 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[3-(morpholin-4-ylmethyl)azetidin-1-yl]-5-nitrosobenzonitrile is sourced from PubChem (CID 163793774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).