[5-(hydrazinecarbonyl)-2-methoxyphenyl]methyl-trimethylazanium

C12H20N3O2+ — CID 169283908

IUPAC[5-(hydrazinecarbonyl)-2-methoxyphenyl]methyl-trimethylazanium
SMILESCOc1ccc(C(=O)NN)cc1C[N+](C)(C)C
InChIInChI=1S/C12H19N3O2/c1-15(2,3)8-10-7-9(12(16)14-13)5-6-11(10)17-4/h5-7H,8,13H2,1-4H3/p+1
InChIKeySRGASXSAMCAHEW-UHFFFAOYSA-O
MW238.31 g/mol
LogP0.50
Rot. Bonds4

About [5-(hydrazinecarbonyl)-2-methoxyphenyl]methyl-trimethylazanium

[5-(hydrazinecarbonyl)-2-methoxyphenyl]methyl-trimethylazanium (PubChem CID 169283908) has the molecular formula C12H20N3O2+ and a molecular weight of 238.31 g/mol. Its IUPAC name is [5-(hydrazinecarbonyl)-2-methoxyphenyl]methyl-trimethylazanium.

Molecular Properties

Compound Name[5-(hydrazinecarbonyl)-2-methoxyphenyl]methyl-trimethylazanium
PubChem CID169283908
Molecular FormulaC12H20N3O2+
Molecular Weight238.31 g/mol
Exact Mass238.16
IUPAC Name[5-(hydrazinecarbonyl)-2-methoxyphenyl]methyl-trimethylazanium
SMILESCOc1ccc(C(=O)NN)cc1C[N+](C)(C)C
InChIInChI=1S/C12H19N3O2/c1-15(2,3)8-10-7-9(12(16)14-13)5-6-11(10)17-4/h5-7H,8,13H2,1-4H3/p+1
InChIKeySRGASXSAMCAHEW-UHFFFAOYSA-O
XLogP0.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 45373547
N-[5-(hydrazinecarbonyl)-2-methoxyphenyl]-2,2-dimethylpropanamide
CID 15509074
[4-(hydrazinecarbonyl)phenyl]methyl-trimethylazanium bromide
CID 171634573
2-[4-(hydrazinecarbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 167446840
N-cyclopropyl-3-ethyl-4-methoxybenzamide
CID 110761892
4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxybenzohydrazide
CID 91681857
4-[(3,4-dimethoxyanilino)methyl]benzohydrazide
CID 70810026
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
methyl 3-(3-ethyl-4-methoxyphenyl)-3-oxopropanoate
CID 95452456
methyl 3-(2-hydroxyethyl)-4-methoxybenzoate
CID 10608505
N-ethyl-3-hydroxy-4-methoxybenzamide
CID 79600193

Frequently Asked Questions

What is the IUPAC name of [5-(hydrazinecarbonyl)-2-methoxyphenyl]methyl-trimethylazanium?
The IUPAC name of [5-(hydrazinecarbonyl)-2-methoxyphenyl]methyl-trimethylazanium (CID 169283908) is [5-(hydrazinecarbonyl)-2-methoxyphenyl]methyl-trimethylazanium.
What is the SMILES notation for [5-(hydrazinecarbonyl)-2-methoxyphenyl]methyl-trimethylazanium?
The canonical SMILES for [5-(hydrazinecarbonyl)-2-methoxyphenyl]methyl-trimethylazanium is COc1ccc(C(=O)NN)cc1C[N+](C)(C)C.
What is the InChIKey of [5-(hydrazinecarbonyl)-2-methoxyphenyl]methyl-trimethylazanium?
The InChIKey is SRGASXSAMCAHEW-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H19N3O2/c1-15(2,3)8-10-7-9(12(16)14-13)5-6-11(10)17-4/h5-7H,8,13H2,1-4H3/p+1.
What are the key properties of [5-(hydrazinecarbonyl)-2-methoxyphenyl]methyl-trimethylazanium?
[5-(hydrazinecarbonyl)-2-methoxyphenyl]methyl-trimethylazanium has a molecular weight of 238.31 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydrazinecarbonyl)-2-methoxyphenyl]methyl-trimethylazanium is sourced from PubChem (CID 169283908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).