3-hydrazinyl-N-methyl-5-nitro-N-(pyridin-3-ylmethyl)aniline

C13H15N5O2 — CID 80905726

IUPAC3-hydrazinyl-N-methyl-5-nitro-N-(pyridin-3-ylmethyl)aniline
SMILESCN(Cc1cccnc1)c1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H15N5O2/c1-17(9-10-3-2-4-15-8-10)12-5-11(16-14)6-13(7-12)18(19)20/h2-8,16H,9,14H2,1H3
InChIKeyWKERQWRDUZZYJU-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.91
Rot. Bonds5

About 3-hydrazinyl-N-methyl-5-nitro-N-(pyridin-3-ylmethyl)aniline

3-hydrazinyl-N-methyl-5-nitro-N-(pyridin-3-ylmethyl)aniline (PubChem CID 80905726) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 3-hydrazinyl-N-methyl-5-nitro-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name3-hydrazinyl-N-methyl-5-nitro-N-(pyridin-3-ylmethyl)aniline
PubChem CID80905726
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name3-hydrazinyl-N-methyl-5-nitro-N-(pyridin-3-ylmethyl)aniline
SMILESCN(Cc1cccnc1)c1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H15N5O2/c1-17(9-10-3-2-4-15-8-10)12-5-11(16-14)6-13(7-12)18(19)20/h2-8,16H,9,14H2,1H3
InChIKeyWKERQWRDUZZYJU-UHFFFAOYSA-N
XLogP1.91
TPSA97.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydrazinyl-N-methyl-5-nitro-N-(2-phenylethyl)aniline
CID 80924169
1-N,3-N-dimethyl-3-N-[(3-methylphenyl)methyl]-5-nitrobenzene-1,3-diamine
CID 80777313
N'-(3-hydrazinyl-5-nitrophenyl)-N,N,N'-trimethylpropane-1,3-diamine
CID 80909909
N-(cyclopentylmethyl)-3-hydrazinyl-N-methyl-5-nitroaniline
CID 80910026
3,5-dinitro-N,N-bis(pyridin-3-ylmethyl)benzamide
CID 132554500
2-(bromomethyl)-N-methyl-4-nitro-N-(pyridin-3-ylmethyl)aniline
CID 107080346
N-ethyl-3-hydrazinyl-5-nitro-N-phenylaniline
CID 80917523
5-N-methyl-5-N-(pyridin-3-ylmethyl)pyridine-3,5-diamine
CID 104533006
N-butan-2-yl-3-hydrazinyl-N-methyl-5-nitroaniline
CID 80894806
5-N-methyl-3-N-propyl-5-N-(pyridin-3-ylmethyl)pyridine-3,5-diamine
CID 104533005
2-amino-5-[methyl(pyridin-3-ylmethyl)amino]benzonitrile
CID 113323849
N,N-diethyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitrobenzenesulfonamide
CID 9183425

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-methyl-5-nitro-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 3-hydrazinyl-N-methyl-5-nitro-N-(pyridin-3-ylmethyl)aniline (CID 80905726) is 3-hydrazinyl-N-methyl-5-nitro-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 3-hydrazinyl-N-methyl-5-nitro-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 3-hydrazinyl-N-methyl-5-nitro-N-(pyridin-3-ylmethyl)aniline is CN(Cc1cccnc1)c1cc(NN)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-hydrazinyl-N-methyl-5-nitro-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is WKERQWRDUZZYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-17(9-10-3-2-4-15-8-10)12-5-11(16-14)6-13(7-12)18(19)20/h2-8,16H,9,14H2,1H3.
What are the key properties of 3-hydrazinyl-N-methyl-5-nitro-N-(pyridin-3-ylmethyl)aniline?
3-hydrazinyl-N-methyl-5-nitro-N-(pyridin-3-ylmethyl)aniline has a molecular weight of 273.30 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-methyl-5-nitro-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 80905726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).