[4-(hydrazinecarbonyl)phenyl]methyl-trimethylazanium bromide

C11H18BrN3O — CID 171634573

IUPAC[4-(hydrazinecarbonyl)phenyl]methyl-trimethylazanium bromide
SMILESC[N+](C)(C)Cc1ccc(C(=O)NN)cc1.[Br-]
InChIInChI=1S/C11H17N3O.BrH/c1-14(2,3)8-9-4-6-10(7-5-9)11(15)13-12;/h4-7H,8,12H2,1-3H3;1H
InChIKeyCLTCGBDICHRPSO-UHFFFAOYSA-N
MW288.19 g/mol
LogP-2.50
Rot. Bonds3

About [4-(hydrazinecarbonyl)phenyl]methyl-trimethylazanium bromide

[4-(hydrazinecarbonyl)phenyl]methyl-trimethylazanium bromide (PubChem CID 171634573) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is [4-(hydrazinecarbonyl)phenyl]methyl-trimethylazanium bromide.

Molecular Properties

Compound Name[4-(hydrazinecarbonyl)phenyl]methyl-trimethylazanium bromide
PubChem CID171634573
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name[4-(hydrazinecarbonyl)phenyl]methyl-trimethylazanium bromide
SMILESC[N+](C)(C)Cc1ccc(C(=O)NN)cc1.[Br-]
InChIInChI=1S/C11H17N3O.BrH/c1-14(2,3)8-9-4-6-10(7-5-9)11(15)13-12;/h4-7H,8,12H2,1-3H3;1H
InChIKeyCLTCGBDICHRPSO-UHFFFAOYSA-N
XLogP-2.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 5-2.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

[4-(2-aminoacetyl)phenyl]methyl-trimethylazanium bromide
CID 170860760
(4-acetylphenyl)methyl-trimethylazanium
CID 4054341
4-((18F)fluoromethyl)(18F)benzohydrazide
CID 10080752
[5-(hydrazinecarbonyl)-2-methoxyphenyl]methyl-trimethylazanium
CID 169283908
ethane;4-methylbenzohydrazide
CID 143952809
4-methylsulfonylbenzohydrazide
CID 11042107
4-tert-butylbenzohydrazide;hydrochloride
CID 175372968
4-fluorobenzohydrazide
CID 9972
benzyl(trimethyl)azanium;propanedioic acid
CID 87600376
CID 69045386
CID 69045386
benzohydrazide;propane
CID 90709051
4-[[4-(hydrazinecarbonyl)phenyl]diazenyl]benzohydrazide
CID 88534888

Frequently Asked Questions

What is the IUPAC name of [4-(hydrazinecarbonyl)phenyl]methyl-trimethylazanium bromide?
The IUPAC name of [4-(hydrazinecarbonyl)phenyl]methyl-trimethylazanium bromide (CID 171634573) is [4-(hydrazinecarbonyl)phenyl]methyl-trimethylazanium bromide.
What is the SMILES notation for [4-(hydrazinecarbonyl)phenyl]methyl-trimethylazanium bromide?
The canonical SMILES for [4-(hydrazinecarbonyl)phenyl]methyl-trimethylazanium bromide is C[N+](C)(C)Cc1ccc(C(=O)NN)cc1.[Br-].
What is the InChIKey of [4-(hydrazinecarbonyl)phenyl]methyl-trimethylazanium bromide?
The InChIKey is CLTCGBDICHRPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.BrH/c1-14(2,3)8-9-4-6-10(7-5-9)11(15)13-12;/h4-7H,8,12H2,1-3H3;1H.
What are the key properties of [4-(hydrazinecarbonyl)phenyl]methyl-trimethylazanium bromide?
[4-(hydrazinecarbonyl)phenyl]methyl-trimethylazanium bromide has a molecular weight of 288.19 g/mol, XLogP of -2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydrazinecarbonyl)phenyl]methyl-trimethylazanium bromide is sourced from PubChem (CID 171634573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).