N-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide

C6H10N6O — CID 137219107

IUPACN-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide
SMILESCN(C)N=NNC(=O)c1cnc[nH]1
InChIInChI=1S/C6H10N6O/c1-12(2)11-10-9-6(13)5-3-7-4-8-5/h3-4H,1-2H3,(H,7,8)(H,9,11,13)
InChIKeyBAOPHNQYOBTUBL-UHFFFAOYSA-N
MW182.19 g/mol
LogP-0.02
Rot. Bonds3

About N-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide

N-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide (PubChem CID 137219107) has the molecular formula C6H10N6O and a molecular weight of 182.19 g/mol. Its IUPAC name is N-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide
PubChem CID137219107
Molecular FormulaC6H10N6O
Molecular Weight182.19 g/mol
Exact Mass182.09
IUPAC NameN-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide
SMILESCN(C)N=NNC(=O)c1cnc[nH]1
InChIInChI=1S/C6H10N6O/c1-12(2)11-10-9-6(13)5-3-7-4-8-5/h3-4H,1-2H3,(H,7,8)(H,9,11,13)
InChIKeyBAOPHNQYOBTUBL-UHFFFAOYSA-N
XLogP-0.02
TPSA85.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 5-0.02
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

N-(N'-ethylcarbamimidoyl)-1H-imidazole-5-carboxamide
CID 89269736
N-(benzylideneamino)-1H-imidazole-5-carboxamide
CID 1497211
1H-imidazole-5-carbohydrazide;hydrochloride
CID 141069695
N-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxamide
CID 141124408
N-[(1S)-1-phenylethyl]-1H-imidazole-5-carboxamide
CID 141124436
N-(2,6-diethylphenyl)-1H-imidazole-5-carboxamide
CID 110684342
methyl 1H-imidazole-5-carboxylate;hydrochloride
CID 45116490
N-[(3S)-2,5-dimethyl-4-oxohexan-3-yl]-1H-imidazole-5-carboxamide
CID 141300351
N-[(2R)-2-hydroxypropyl]-1H-imidazole-5-carboxamide
CID 83031870
N-[(2R)-1-aminopropan-2-yl]-1H-imidazole-5-carboxamide
CID 104877130
methyl 2-(1H-imidazol-5-yl)-2-oxoacetate
CID 131591777
3-(1H-imidazol-5-yl)-3-oxopropanamide
CID 22924958

Frequently Asked Questions

What is the IUPAC name of N-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide (CID 137219107) is N-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide is CN(C)N=NNC(=O)c1cnc[nH]1.
What is the InChIKey of N-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide?
The InChIKey is BAOPHNQYOBTUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N6O/c1-12(2)11-10-9-6(13)5-3-7-4-8-5/h3-4H,1-2H3,(H,7,8)(H,9,11,13).
What are the key properties of N-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide?
N-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide has a molecular weight of 182.19 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 137219107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).