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

C6H10N6O2 — CID 135518056

IUPAC4-[(E)-[hydroxymethyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide
SMILESCN(CO)/N=N/c1nc[nH]c1C(N)=O
InChIInChI=1S/C6H10N6O2/c1-12(3-13)11-10-6-4(5(7)14)8-2-9-6/h2,13H,3H2,1H3,(H2,7,14)(H,8,9)/b11-10+
InChIKeyUGVTYCQVZPDYRZ-ZHACJKMWSA-N
MW198.19 g/mol
LogP-0.61
Rot. Bonds4

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

4-[(E)-[hydroxymethyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide (PubChem CID 135518056) has the molecular formula C6H10N6O2 and a molecular weight of 198.19 g/mol. Its IUPAC name is 4-[(E)-[hydroxymethyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-[(E)-[hydroxymethyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide
PubChem CID135518056
Molecular FormulaC6H10N6O2
Molecular Weight198.19 g/mol
Exact Mass198.09
IUPAC Name4-[(E)-[hydroxymethyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide
SMILESCN(CO)/N=N/c1nc[nH]c1C(N)=O
InChIInChI=1S/C6H10N6O2/c1-12(3-13)11-10-6-4(5(7)14)8-2-9-6/h2,13H,3H2,1H3,(H2,7,14)(H,8,9)/b11-10+
InChIKeyUGVTYCQVZPDYRZ-ZHACJKMWSA-N
XLogP-0.61
TPSA119.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[hydroxymethyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide?
The IUPAC name of 4-[(E)-[hydroxymethyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide (CID 135518056) is 4-[(E)-[hydroxymethyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-[(E)-[hydroxymethyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-[(E)-[hydroxymethyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide is CN(CO)/N=N/c1nc[nH]c1C(N)=O.
What is the InChIKey of 4-[(E)-[hydroxymethyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide?
The InChIKey is UGVTYCQVZPDYRZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C6H10N6O2/c1-12(3-13)11-10-6-4(5(7)14)8-2-9-6/h2,13H,3H2,1H3,(H2,7,14)(H,8,9)/b11-10+.
What are the key properties of 4-[(E)-[hydroxymethyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide?
4-[(E)-[hydroxymethyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide has a molecular weight of 198.19 g/mol, XLogP of -0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[hydroxymethyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 135518056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).