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

C9H13N3O5 — CID 54077895

IUPACN-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide
SMILESO=C(NC1O[C@H](CO)[C@@H](O)[C@H]1O)c1cnc[nH]1
InChIInChI=1S/C9H13N3O5/c13-2-5-6(14)7(15)9(17-5)12-8(16)4-1-10-3-11-4/h1,3,5-7,9,13-15H,2H2,(H,10,11)(H,12,16)/t5-,6-,7-,9?/m1/s1
InChIKeyMKZRTKBCBRFEJM-PILSHRGASA-N
MW243.22 g/mol
LogP-2.42
Rot. Bonds3

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

N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide (PubChem CID 54077895) has the molecular formula C9H13N3O5 and a molecular weight of 243.22 g/mol. Its IUPAC name is N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide
PubChem CID54077895
Molecular FormulaC9H13N3O5
Molecular Weight243.22 g/mol
Exact Mass243.09
IUPAC NameN-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide
SMILESO=C(NC1O[C@H](CO)[C@@H](O)[C@H]1O)c1cnc[nH]1
InChIInChI=1S/C9H13N3O5/c13-2-5-6(14)7(15)9(17-5)12-8(16)4-1-10-3-11-4/h1,3,5-7,9,13-15H,2H2,(H,10,11)(H,12,16)/t5-,6-,7-,9?/m1/s1
InChIKeyMKZRTKBCBRFEJM-PILSHRGASA-N
XLogP-2.42
TPSA127.70 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 ≤ 5-2.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide (CID 54077895) is N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide is O=C(NC1O[C@H](CO)[C@@H](O)[C@H]1O)c1cnc[nH]1.
What is the InChIKey of N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide?
The InChIKey is MKZRTKBCBRFEJM-PILSHRGASA-N. The full InChI is InChI=1S/C9H13N3O5/c13-2-5-6(14)7(15)9(17-5)12-8(16)4-1-10-3-11-4/h1,3,5-7,9,13-15H,2H2,(H,10,11)(H,12,16)/t5-,6-,7-,9?/m1/s1.
What are the key properties of N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide?
N-[(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 -2.42, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 54077895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).