5-(dihydroxymethyl)-2-oxo-1H-imidazole-3-carboxamide

C5H7N3O4 — CID 91051702

IUPAC5-(dihydroxymethyl)-2-oxo-1H-imidazole-3-carboxamide
SMILESNC(=O)n1cc(C(O)O)[nH]c1=O
InChIInChI=1S/C5H7N3O4/c6-4(11)8-1-2(3(9)10)7-5(8)12/h1,3,9-10H,(H2,6,11)(H,7,12)
InChIKeyFWNVVQHEEROITP-UHFFFAOYSA-N
MW173.13 g/mol
LogP-1.91
Rot. Bonds1

About 5-(dihydroxymethyl)-2-oxo-1H-imidazole-3-carboxamide

5-(dihydroxymethyl)-2-oxo-1H-imidazole-3-carboxamide (PubChem CID 91051702) has the molecular formula C5H7N3O4 and a molecular weight of 173.13 g/mol. Its IUPAC name is 5-(dihydroxymethyl)-2-oxo-1H-imidazole-3-carboxamide.

Molecular Properties

Compound Name5-(dihydroxymethyl)-2-oxo-1H-imidazole-3-carboxamide
PubChem CID91051702
Molecular FormulaC5H7N3O4
Molecular Weight173.13 g/mol
Exact Mass173.04
IUPAC Name5-(dihydroxymethyl)-2-oxo-1H-imidazole-3-carboxamide
SMILESNC(=O)n1cc(C(O)O)[nH]c1=O
InChIInChI=1S/C5H7N3O4/c6-4(11)8-1-2(3(9)10)7-5(8)12/h1,3,9-10H,(H2,6,11)(H,7,12)
InChIKeyFWNVVQHEEROITP-UHFFFAOYSA-N
XLogP-1.91
TPSA121.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.13
LogP ≤ 5-1.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(Dihydroxymethyl)-1,3-dihydroimidazol-2-one
CID 53815919
4-(Hydroxymethyl)-1,3-dihydroimidazol-2-one
CID 54466280
5-(dihydroxymethyl)-3-methyl-1H-imidazol-2-one
CID 57147740
ethyl 5-(dihydroxymethyl)-2-oxo-1H-imidazole-3-carboxylate
CID 57303640
3-butanoyl-5-(dihydroxymethyl)-1H-imidazol-2-one
CID 90838568
5-(dihydroxymethyl)-N-ethyl-2-oxo-1H-imidazole-3-carboxamide
CID 90904164
5-(dihydroxymethyl)-2-oxo-1H-imidazole-3-carboxylic acid
CID 91241129

Frequently Asked Questions

What is the IUPAC name of 5-(dihydroxymethyl)-2-oxo-1H-imidazole-3-carboxamide?
The IUPAC name of 5-(dihydroxymethyl)-2-oxo-1H-imidazole-3-carboxamide (CID 91051702) is 5-(dihydroxymethyl)-2-oxo-1H-imidazole-3-carboxamide.
What is the SMILES notation for 5-(dihydroxymethyl)-2-oxo-1H-imidazole-3-carboxamide?
The canonical SMILES for 5-(dihydroxymethyl)-2-oxo-1H-imidazole-3-carboxamide is NC(=O)n1cc(C(O)O)[nH]c1=O.
What is the InChIKey of 5-(dihydroxymethyl)-2-oxo-1H-imidazole-3-carboxamide?
The InChIKey is FWNVVQHEEROITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O4/c6-4(11)8-1-2(3(9)10)7-5(8)12/h1,3,9-10H,(H2,6,11)(H,7,12).
What are the key properties of 5-(dihydroxymethyl)-2-oxo-1H-imidazole-3-carboxamide?
5-(dihydroxymethyl)-2-oxo-1H-imidazole-3-carboxamide has a molecular weight of 173.13 g/mol, XLogP of -1.91, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dihydroxymethyl)-2-oxo-1H-imidazole-3-carboxamide is sourced from PubChem (CID 91051702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).