(2R,3R,4R,5R)-2-[[5-ethyl-4-(hydroxymethyl)triazol-1-yl]methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol

C11H20N4O4 — CID 11818116

IUPAC(2R,3R,4R,5R)-2-[[5-ethyl-4-(hydroxymethyl)triazol-1-yl]methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
SMILESCCc1c(CO)nnn1C[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H20N4O4/c1-2-9-7(4-16)13-14-15(9)3-6-10(18)11(19)8(5-17)12-6/h6,8,10-12,16-19H,2-5H2,1H3/t6-,8-,10-,11-/m1/s1
InChIKeySBRBYYSTFNZJQQ-SSQAQTMGSA-N
MW272.31 g/mol
LogP-2.61
Rot. Bonds5

About (2R,3R,4R,5R)-2-[[5-ethyl-4-(hydroxymethyl)triazol-1-yl]methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol

(2R,3R,4R,5R)-2-[[5-ethyl-4-(hydroxymethyl)triazol-1-yl]methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol (PubChem CID 11818116) has the molecular formula C11H20N4O4 and a molecular weight of 272.31 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-[[5-ethyl-4-(hydroxymethyl)triazol-1-yl]methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-[[5-ethyl-4-(hydroxymethyl)triazol-1-yl]methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
PubChem CID11818116
Molecular FormulaC11H20N4O4
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name(2R,3R,4R,5R)-2-[[5-ethyl-4-(hydroxymethyl)triazol-1-yl]methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
SMILESCCc1c(CO)nnn1C[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H20N4O4/c1-2-9-7(4-16)13-14-15(9)3-6-10(18)11(19)8(5-17)12-6/h6,8,10-12,16-19H,2-5H2,1H3/t6-,8-,10-,11-/m1/s1
InChIKeySBRBYYSTFNZJQQ-SSQAQTMGSA-N
XLogP-2.61
TPSA123.66 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 5-2.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze (2R,3R,4R,5R)-2-[[5-ethyl-4-(hydroxymethyl)triazol-1-yl]methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol 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 (2R,3R,4R,5R)-2-[[5-ethyl-4-(hydroxymethyl)triazol-1-yl]methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-2-[[5-ethyl-4-(hydroxymethyl)triazol-1-yl]methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol (CID 11818116) is (2R,3R,4R,5R)-2-[[5-ethyl-4-(hydroxymethyl)triazol-1-yl]methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-2-[[5-ethyl-4-(hydroxymethyl)triazol-1-yl]methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-2-[[5-ethyl-4-(hydroxymethyl)triazol-1-yl]methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol is CCc1c(CO)nnn1C[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5R)-2-[[5-ethyl-4-(hydroxymethyl)triazol-1-yl]methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol?
The InChIKey is SBRBYYSTFNZJQQ-SSQAQTMGSA-N. The full InChI is InChI=1S/C11H20N4O4/c1-2-9-7(4-16)13-14-15(9)3-6-10(18)11(19)8(5-17)12-6/h6,8,10-12,16-19H,2-5H2,1H3/t6-,8-,10-,11-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-[[5-ethyl-4-(hydroxymethyl)triazol-1-yl]methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol?
(2R,3R,4R,5R)-2-[[5-ethyl-4-(hydroxymethyl)triazol-1-yl]methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol has a molecular weight of 272.31 g/mol, XLogP of -2.61, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-[[5-ethyl-4-(hydroxymethyl)triazol-1-yl]methyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 11818116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).