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

C9H13N3O4 — CID 67312306

IUPAC1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
SMILESNC(=O)c1cn(C2C[C@H](O)[C@@H](CO)O2)cn1
InChIInChI=1S/C9H13N3O4/c10-9(15)5-2-12(4-11-5)8-1-6(14)7(3-13)16-8/h2,4,6-8,13-14H,1,3H2,(H2,10,15)/t6-,7+,8?/m0/s1
InChIKeyJZTCJRMDKBFLOO-KJFJCRTCSA-N
MW227.22 g/mol
LogP-1.38
Rot. Bonds3

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

1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide (PubChem CID 67312306) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
PubChem CID67312306
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
SMILESNC(=O)c1cn(C2C[C@H](O)[C@@H](CO)O2)cn1
InChIInChI=1S/C9H13N3O4/c10-9(15)5-2-12(4-11-5)8-1-6(14)7(3-13)16-8/h2,4,6-8,13-14H,1,3H2,(H2,10,15)/t6-,7+,8?/m0/s1
InChIKeyJZTCJRMDKBFLOO-KJFJCRTCSA-N
XLogP-1.38
TPSA110.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide?
The IUPAC name of 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide (CID 67312306) is 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide?
The canonical SMILES for 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide is NC(=O)c1cn(C2C[C@H](O)[C@@H](CO)O2)cn1.
What is the InChIKey of 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide?
The InChIKey is JZTCJRMDKBFLOO-KJFJCRTCSA-N. The full InChI is InChI=1S/C9H13N3O4/c10-9(15)5-2-12(4-11-5)8-1-6(14)7(3-13)16-8/h2,4,6-8,13-14H,1,3H2,(H2,10,15)/t6-,7+,8?/m0/s1.
What are the key properties of 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide?
1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide has a molecular weight of 227.22 g/mol, XLogP of -1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide is sourced from PubChem (CID 67312306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).