N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]formamide

C9H13N3O5 — CID 11356937

IUPACN-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]formamide
SMILESO=CNc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cn1
InChIInChI=1S/C9H13N3O5/c13-2-5-7(15)8(16)9(17-5)12-1-6(10-3-12)11-4-14/h1,3-5,7-9,13,15-16H,2H2,(H,11,14)/t5-,7-,8-,9-/m1/s1
InChIKeyGSQOOUSTJKSPRN-ZOQUXTDFSA-N
MW243.22 g/mol
LogP-1.94
Rot. Bonds4

About N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]formamide

N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]formamide (PubChem CID 11356937) has the molecular formula C9H13N3O5 and a molecular weight of 243.22 g/mol. Its IUPAC name is N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]formamide.

Molecular Properties

Compound NameN-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]formamide
PubChem CID11356937
Molecular FormulaC9H13N3O5
Molecular Weight243.22 g/mol
Exact Mass243.09
IUPAC NameN-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]formamide
SMILESO=CNc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cn1
InChIInChI=1S/C9H13N3O5/c13-2-5-7(15)8(16)9(17-5)12-1-6(10-3-12)11-4-14/h1,3-5,7-9,13,15-16H,2H2,(H,11,14)/t5-,7-,8-,9-/m1/s1
InChIKeyGSQOOUSTJKSPRN-ZOQUXTDFSA-N
XLogP-1.94
TPSA116.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-1.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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

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

Launch Full Analysis

Related Compounds

5-Aminoimidazole ribonucleotide
CID 161500
5-Aminoimidazole Ribonucleoside
CID 448820
N5-carboxyaminoimidazole ribonucleotide
CID 25201011
5-amino-1-(5-phosphonato-D-ribosyl)imidazol-3-ium
CID 45266696
5-carboxyamino-1-(5-phospho-D-ribosyl)imidazole
CID 23657851
5-carboxylatoamino-1-(5-O-phosphonato-D-ribosyl)imidazole(3-)
CID 25202011
5-amino-1-(5-phosphonato-beta-D-ribosyl)imidazol-3-ium
CID 44229244
Ethenodeoxycytidine
CID 107769
{[5-(5-amino-1H-imidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
CID 153
5-Amino-1-(5-phospho-D-ribosyl)imidazole
CID 16048619
(2R,3R,4R,5S)-2-(5-aminoimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 46937012
Imidazo(1,2-c)pyrimidin-5(6H)-one, 6-beta-D-ribofuranosyl-
CID 15928745

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]formamide?
The IUPAC name of N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]formamide (CID 11356937) is N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]formamide.
What is the SMILES notation for N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]formamide?
The canonical SMILES for N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]formamide is O=CNc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cn1.
What is the InChIKey of N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]formamide?
The InChIKey is GSQOOUSTJKSPRN-ZOQUXTDFSA-N. The full InChI is InChI=1S/C9H13N3O5/c13-2-5-7(15)8(16)9(17-5)12-1-6(10-3-12)11-4-14/h1,3-5,7-9,13,15-16H,2H2,(H,11,14)/t5-,7-,8-,9-/m1/s1.
What are the key properties of N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]formamide?
N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]formamide has a molecular weight of 243.22 g/mol, XLogP of -1.94, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]formamide is sourced from PubChem (CID 11356937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).