1-(2-hydrazinyl-3-nitrophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine

C13H18N6O2 — CID 107353044

IUPAC1-(2-hydrazinyl-3-nitrophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCN(Cc1cccc([N+](=O)[O-])c1NN)Cc1nccn1C
InChIInChI=1S/C13H18N6O2/c1-17(9-12-15-6-7-18(12)2)8-10-4-3-5-11(19(20)21)13(10)16-14/h3-7,16H,8-9,14H2,1-2H3
InChIKeyQJBASULJCJDMID-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.25
Rot. Bonds6

About 1-(2-hydrazinyl-3-nitrophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine

1-(2-hydrazinyl-3-nitrophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine (PubChem CID 107353044) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-(2-hydrazinyl-3-nitrophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-hydrazinyl-3-nitrophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
PubChem CID107353044
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name1-(2-hydrazinyl-3-nitrophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCN(Cc1cccc([N+](=O)[O-])c1NN)Cc1nccn1C
InChIInChI=1S/C13H18N6O2/c1-17(9-12-15-6-7-18(12)2)8-10-4-3-5-11(19(20)21)13(10)16-14/h3-7,16H,8-9,14H2,1-2H3
InChIKeyQJBASULJCJDMID-UHFFFAOYSA-N
XLogP1.25
TPSA102.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine
CID 107353006
2,2,2-trifluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine
CID 107352881
N-ethyl-2-[(2-hydrazinyl-3-nitrophenyl)methyl-methylamino]acetamide
CID 107352926
N-(dimethylsulfamoyl)-1-(2-hydrazinyl-3-nitrophenyl)-N-methylmethanamine
CID 112752075
N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]-6-nitroaniline
CID 107350871
3-fluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylaniline
CID 107352931
2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile
CID 60696333
2-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]-6-nitroaniline
CID 62084074
2-(cyclopropylmethoxy)-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine
CID 107353100
N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 107353064
2-chloro-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol
CID 112616300
N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 107352890

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydrazinyl-3-nitrophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-hydrazinyl-3-nitrophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine (CID 107353044) is 1-(2-hydrazinyl-3-nitrophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-hydrazinyl-3-nitrophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-hydrazinyl-3-nitrophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine is CN(Cc1cccc([N+](=O)[O-])c1NN)Cc1nccn1C.
What is the InChIKey of 1-(2-hydrazinyl-3-nitrophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The InChIKey is QJBASULJCJDMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-17(9-12-15-6-7-18(12)2)8-10-4-3-5-11(19(20)21)13(10)16-14/h3-7,16H,8-9,14H2,1-2H3.
What are the key properties of 1-(2-hydrazinyl-3-nitrophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine?
1-(2-hydrazinyl-3-nitrophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine has a molecular weight of 290.33 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydrazinyl-3-nitrophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 107353044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).