4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide

C9H16N6O — CID 135460287

IUPAC4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide
SMILESCCCCN(C)/N=N/c1nc[nH]c1C(N)=O
InChIInChI=1S/C9H16N6O/c1-3-4-5-15(2)14-13-9-7(8(10)16)11-6-12-9/h6H,3-5H2,1-2H3,(H2,10,16)(H,11,12)/b14-13+
InChIKeyMNYIKAMATCANTQ-BUHFOSPRSA-N
MW224.27 g/mol
LogP1.24
Rot. Bonds6

About 4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide

4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide (PubChem CID 135460287) has the molecular formula C9H16N6O and a molecular weight of 224.27 g/mol. Its IUPAC name is 4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide
PubChem CID135460287
Molecular FormulaC9H16N6O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide
SMILESCCCCN(C)/N=N/c1nc[nH]c1C(N)=O
InChIInChI=1S/C9H16N6O/c1-3-4-5-15(2)14-13-9-7(8(10)16)11-6-12-9/h6H,3-5H2,1-2H3,(H2,10,16)(H,11,12)/b14-13+
InChIKeyMNYIKAMATCANTQ-BUHFOSPRSA-N
XLogP1.24
TPSA99.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Guanine
CID 135398634
Hypoxanthine
CID 135398638
Dacarbazine
CID 135398738
5-Aminoimidazole-4-carboxamide
CID 9679
6H-Purin-6-one, 2-amino-1,9-dihydro-, hydrochloride (1:1)
CID 135436483
5-(3,3-Dimethyl-1-triazenyl)-1H-imidazole-4-carboxamide
CID 2942
1-Methylguanine
CID 70315
CID 790
CID 790
3,7-Dihydro-4H-imidazo(4,5-d)-1,2,3-triazin-4-one
CID 135421876
5-(3-Methyltriazen-1-yl)imidazole-4-carboxamide
CID 76953
N-(6,7-dihydro-6-oxo-1H-purin-2-yl)acetamide
CID 135432176
2-Bromohypoxanthine
CID 135413991

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide?
The IUPAC name of 4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide (CID 135460287) is 4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide is CCCCN(C)/N=N/c1nc[nH]c1C(N)=O.
What is the InChIKey of 4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide?
The InChIKey is MNYIKAMATCANTQ-BUHFOSPRSA-N. The full InChI is InChI=1S/C9H16N6O/c1-3-4-5-15(2)14-13-9-7(8(10)16)11-6-12-9/h6H,3-5H2,1-2H3,(H2,10,16)(H,11,12)/b14-13+.
What are the key properties of 4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide?
4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide has a molecular weight of 224.27 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 135460287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).