[2-[[1-hydrazinyl-1-oxo-6-[(1-phenyltriazole-4-carbonyl)amino]hexan-2-yl]amino]-2-oxoethyl]-trimethylazanium

C20H31N8O3+ — CID 172795677

IUPAC[2-[[1-hydrazinyl-1-oxo-6-[(1-phenyltriazole-4-carbonyl)amino]hexan-2-yl]amino]-2-oxoethyl]-trimethylazanium
SMILESC[N+](C)(C)CC(=O)NC(CCCCNC(=O)c1cn(-c2ccccc2)nn1)C(=O)NN
InChIInChI=1S/C20H30N8O3/c1-28(2,3)14-18(29)23-16(20(31)24-21)11-7-8-12-22-19(30)17-13-27(26-25-17)15-9-5-4-6-10-15/h4-6,9-10,13,16H,7-8,11-12,14H2,1-3H3,(H4-,21,22,23,24,25,26,29,30,31)/p+1
InChIKeyQEAHGWSNVZYQFN-UHFFFAOYSA-O
MW431.52 g/mol
LogP-0.65
Rot. Bonds11

About [2-[[1-hydrazinyl-1-oxo-6-[(1-phenyltriazole-4-carbonyl)amino]hexan-2-yl]amino]-2-oxoethyl]-trimethylazanium

[2-[[1-hydrazinyl-1-oxo-6-[(1-phenyltriazole-4-carbonyl)amino]hexan-2-yl]amino]-2-oxoethyl]-trimethylazanium (PubChem CID 172795677) has the molecular formula C20H31N8O3+ and a molecular weight of 431.52 g/mol. Its IUPAC name is [2-[[1-hydrazinyl-1-oxo-6-[(1-phenyltriazole-4-carbonyl)amino]hexan-2-yl]amino]-2-oxoethyl]-trimethylazanium.

Molecular Properties

Compound Name[2-[[1-hydrazinyl-1-oxo-6-[(1-phenyltriazole-4-carbonyl)amino]hexan-2-yl]amino]-2-oxoethyl]-trimethylazanium
PubChem CID172795677
Molecular FormulaC20H31N8O3+
Molecular Weight431.52 g/mol
Exact Mass431.25
IUPAC Name[2-[[1-hydrazinyl-1-oxo-6-[(1-phenyltriazole-4-carbonyl)amino]hexan-2-yl]amino]-2-oxoethyl]-trimethylazanium
SMILESC[N+](C)(C)CC(=O)NC(CCCCNC(=O)c1cn(-c2ccccc2)nn1)C(=O)NN
InChIInChI=1S/C20H30N8O3/c1-28(2,3)14-18(29)23-16(20(31)24-21)11-7-8-12-22-19(30)17-13-27(26-25-17)15-9-5-4-6-10-15/h4-6,9-10,13,16H,7-8,11-12,14H2,1-3H3,(H4-,21,22,23,24,25,26,29,30,31)/p+1
InChIKeyQEAHGWSNVZYQFN-UHFFFAOYSA-O
XLogP-0.65
TPSA144.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [2-[[1-hydrazinyl-1-oxo-6-[(1-phenyltriazole-4-carbonyl)amino]hexan-2-yl]amino]-2-oxoethyl]-trimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-hydroxybutyl)-1-phenyltriazole-4-carboxamide
CID 106843500
6-[(1-phenyltriazole-4-carbonyl)amino]hexanoic acid
CID 119220200
N-(3-hydroxy-4-methoxybutyl)-1-phenyltriazole-4-carboxamide
CID 103877146
N-(2-amino-2-methylpropyl)-1-phenyltriazole-4-carboxamide;hydrochloride
CID 119627298
4-methyl-2-[(1-phenyltriazole-4-carbonyl)amino]pentanoic acid
CID 119188578
1-(4-methylphenyl)-N-pentyltriazole-4-carboxamide
CID 20973744
methyl 2-[(1-phenyltriazole-4-carbonyl)amino]acetate
CID 43066587
3-[(1-phenyltriazole-4-carbonyl)amino]butanoic acid
CID 43360787
N-(3-morpholin-4-ylpropyl)-1-phenyltriazole-4-carboxamide
CID 46407515
N-(2,3-dihydroxy-2-methylpropyl)-1-phenyltriazole-4-carboxamide
CID 66169267
N-(3-aminopropyl)-1-(4-methylphenyl)triazole-4-carboxamide;hydrochloride
CID 119405590
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1-phenyltriazole-4-carboxamide
CID 46431818

Frequently Asked Questions

What is the IUPAC name of [2-[[1-hydrazinyl-1-oxo-6-[(1-phenyltriazole-4-carbonyl)amino]hexan-2-yl]amino]-2-oxoethyl]-trimethylazanium?
The IUPAC name of [2-[[1-hydrazinyl-1-oxo-6-[(1-phenyltriazole-4-carbonyl)amino]hexan-2-yl]amino]-2-oxoethyl]-trimethylazanium (CID 172795677) is [2-[[1-hydrazinyl-1-oxo-6-[(1-phenyltriazole-4-carbonyl)amino]hexan-2-yl]amino]-2-oxoethyl]-trimethylazanium.
What is the SMILES notation for [2-[[1-hydrazinyl-1-oxo-6-[(1-phenyltriazole-4-carbonyl)amino]hexan-2-yl]amino]-2-oxoethyl]-trimethylazanium?
The canonical SMILES for [2-[[1-hydrazinyl-1-oxo-6-[(1-phenyltriazole-4-carbonyl)amino]hexan-2-yl]amino]-2-oxoethyl]-trimethylazanium is C[N+](C)(C)CC(=O)NC(CCCCNC(=O)c1cn(-c2ccccc2)nn1)C(=O)NN.
What is the InChIKey of [2-[[1-hydrazinyl-1-oxo-6-[(1-phenyltriazole-4-carbonyl)amino]hexan-2-yl]amino]-2-oxoethyl]-trimethylazanium?
The InChIKey is QEAHGWSNVZYQFN-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H30N8O3/c1-28(2,3)14-18(29)23-16(20(31)24-21)11-7-8-12-22-19(30)17-13-27(26-25-17)15-9-5-4-6-10-15/h4-6,9-10,13,16H,7-8,11-12,14H2,1-3H3,(H4-,21,22,23,24,25,26,29,30,31)/p+1.
What are the key properties of [2-[[1-hydrazinyl-1-oxo-6-[(1-phenyltriazole-4-carbonyl)amino]hexan-2-yl]amino]-2-oxoethyl]-trimethylazanium?
[2-[[1-hydrazinyl-1-oxo-6-[(1-phenyltriazole-4-carbonyl)amino]hexan-2-yl]amino]-2-oxoethyl]-trimethylazanium has a molecular weight of 431.52 g/mol, XLogP of -0.65, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-hydrazinyl-1-oxo-6-[(1-phenyltriazole-4-carbonyl)amino]hexan-2-yl]amino]-2-oxoethyl]-trimethylazanium is sourced from PubChem (CID 172795677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).