4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carboxamide

C6H10N6O — CID 135398738

IUPAC4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carboxamide
SMILESCN(C)/N=N/c1nc[nH]c1C(N)=O
InChIInChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)/b11-10+
InChIKeyFDKXTQMXEQVLRF-ZHACJKMWSA-N
MW182.19 g/mol
LogP0.07
Rot. Bonds3

About 4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carboxamide

4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carboxamide (PubChem CID 135398738) has the molecular formula C6H10N6O and a molecular weight of 182.19 g/mol. Its IUPAC name is 4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carboxamide
PubChem CID135398738
Molecular FormulaC6H10N6O
Molecular Weight182.19 g/mol
Exact Mass182.09
IUPAC Name4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carboxamide
SMILESCN(C)/N=N/c1nc[nH]c1C(N)=O
InChIInChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)/b11-10+
InChIKeyFDKXTQMXEQVLRF-ZHACJKMWSA-N
XLogP0.07
TPSA99.73 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 ≤ 50.07
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

Theophylline
CID 2153
Guanine
CID 135398634
Xanthine
CID 1188
Hypoxanthine
CID 135398638
5-Aminoimidazole-4-carboxamide
CID 9679
1-Methylxanthine
CID 80220
3-Methylxanthine
CID 70639
7-Methylguanine
CID 135398679
6H-Purin-6-one, 2-amino-1,9-dihydro-, hydrochloride (1:1)
CID 135436483
1-Methylguanine
CID 70315
CID 790
CID 790
2-Thioxanthine
CID 1268185

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carboxamide?
The IUPAC name of 4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carboxamide (CID 135398738) is 4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carboxamide is CN(C)/N=N/c1nc[nH]c1C(N)=O.
What is the InChIKey of 4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carboxamide?
The InChIKey is FDKXTQMXEQVLRF-ZHACJKMWSA-N. The full InChI is InChI=1S/C6H10N6O/c1-12(2)11-10-6-4(5(7)13)8-3-9-6/h3H,1-2H3,(H2,7,13)(H,8,9)/b11-10+.
What are the key properties of 4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carboxamide?
4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carboxamide has a molecular weight of 182.19 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 135398738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).