1-[[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazol-4-yl]methyl]pyrimidine-2,4-dione

C12H15N5O6 — CID 71450622

IUPAC1-[[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazol-4-yl]methyl]pyrimidine-2,4-dione
SMILESO=c1ccn(Cc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)nn2)c(=O)[nH]1
InChIInChI=1S/C12H15N5O6/c18-5-7-9(20)10(21)11(23-7)17-4-6(14-15-17)3-16-2-1-8(19)13-12(16)22/h1-2,4,7,9-11,18,20-21H,3,5H2,(H,13,19,22)/t7-,9-,10-,11-/m1/s1
InChIKeyHUSMKQOXUIOPRU-QCNRFFRDSA-N
MW325.28 g/mol
LogP-3.21
Rot. Bonds4

About 1-[[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazol-4-yl]methyl]pyrimidine-2,4-dione

1-[[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazol-4-yl]methyl]pyrimidine-2,4-dione (PubChem CID 71450622) has the molecular formula C12H15N5O6 and a molecular weight of 325.28 g/mol. Its IUPAC name is 1-[[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazol-4-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazol-4-yl]methyl]pyrimidine-2,4-dione
PubChem CID71450622
Molecular FormulaC12H15N5O6
Molecular Weight325.28 g/mol
Exact Mass325.10
IUPAC Name1-[[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazol-4-yl]methyl]pyrimidine-2,4-dione
SMILESO=c1ccn(Cc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)nn2)c(=O)[nH]1
InChIInChI=1S/C12H15N5O6/c18-5-7-9(20)10(21)11(23-7)17-4-6(14-15-17)3-16-2-1-8(19)13-12(16)22/h1-2,4,7,9-11,18,20-21H,3,5H2,(H,13,19,22)/t7-,9-,10-,11-/m1/s1
InChIKeyHUSMKQOXUIOPRU-QCNRFFRDSA-N
XLogP-3.21
TPSA155.49 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 5-3.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 1-[[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazol-4-yl]methyl]pyrimidine-2,4-dione 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 1-[[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazol-4-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazol-4-yl]methyl]pyrimidine-2,4-dione (CID 71450622) is 1-[[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazol-4-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazol-4-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazol-4-yl]methyl]pyrimidine-2,4-dione is O=c1ccn(Cc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)nn2)c(=O)[nH]1.
What is the InChIKey of 1-[[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazol-4-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is HUSMKQOXUIOPRU-QCNRFFRDSA-N. The full InChI is InChI=1S/C12H15N5O6/c18-5-7-9(20)10(21)11(23-7)17-4-6(14-15-17)3-16-2-1-8(19)13-12(16)22/h1-2,4,7,9-11,18,20-21H,3,5H2,(H,13,19,22)/t7-,9-,10-,11-/m1/s1.
What are the key properties of 1-[[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazol-4-yl]methyl]pyrimidine-2,4-dione?
1-[[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazol-4-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 325.28 g/mol, XLogP of -3.21, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazol-4-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 71450622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).