2-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide

C9H13N3O5 — CID 46876283

IUPAC2-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide
SMILESNC(=O)c1cnc(C2O[C@H](CO)[C@@H](O)[C@H]2O)[nH]1
InChIInChI=1S/C9H13N3O5/c10-8(16)3-1-11-9(12-3)7-6(15)5(14)4(2-13)17-7/h1,4-7,13-15H,2H2,(H2,10,16)(H,11,12)/t4-,5-,6-,7?/m1/s1
InChIKeyANFFQBLIBYTTIG-RKEPMNIXSA-N
MW243.22 g/mol
LogP-2.34
Rot. Bonds3

About 2-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide

2-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide (PubChem CID 46876283) has the molecular formula C9H13N3O5 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide
PubChem CID46876283
Molecular FormulaC9H13N3O5
Molecular Weight243.22 g/mol
Exact Mass243.09
IUPAC Name2-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide
SMILESNC(=O)c1cnc(C2O[C@H](CO)[C@@H](O)[C@H]2O)[nH]1
InChIInChI=1S/C9H13N3O5/c10-8(16)3-1-11-9(12-3)7-6(15)5(14)4(2-13)17-7/h1,4-7,13-15H,2H2,(H2,10,16)(H,11,12)/t4-,5-,6-,7?/m1/s1
InChIKeyANFFQBLIBYTTIG-RKEPMNIXSA-N
XLogP-2.34
TPSA141.69 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-2.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of 2-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide (CID 46876283) is 2-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide is NC(=O)c1cnc(C2O[C@H](CO)[C@@H](O)[C@H]2O)[nH]1.
What is the InChIKey of 2-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide?
The InChIKey is ANFFQBLIBYTTIG-RKEPMNIXSA-N. The full InChI is InChI=1S/C9H13N3O5/c10-8(16)3-1-11-9(12-3)7-6(15)5(14)4(2-13)17-7/h1,4-7,13-15H,2H2,(H2,10,16)(H,11,12)/t4-,5-,6-,7?/m1/s1.
What are the key properties of 2-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide?
2-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide has a molecular weight of 243.22 g/mol, XLogP of -2.34, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 46876283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).